SDF/Mol File of 1-phenyl-3-(piperidin-1-yl)propan-1-one (C14H19NO)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 1-phenyl-3-(piperidin-1-yl)propan-1-one Molecule

• Chemical structure of 1-phenyl-3-(piperidin-1-yl)propan-1-one

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1-phenyl-3-(piperidin-1-yl)propan-1-one is available in chemical structure page of 1-phenyl-3-(piperidin-1-yl)propan-1-one, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 1-phenyl-3-(piperidin-1-yl)propan-1-one

  The molecular weight of 1-phenyl-3-(piperidin-1-yl)propan-1-one is available in molecular weight page of 1-phenyl-3-(piperidin-1-yl)propan-1-one, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of 1-phenyl-3-(piperidin-1-yl)propan-1-one

  The chemical formula of 1-phenyl-3-(piperidin-1-yl)propan-1-one is given in chemical formula page of 1-phenyl-3-(piperidin-1-yl)propan-1-one, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of 1-phenyl-3-(piperidin-1-yl)propan-1-one

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1-phenyl-3-(piperidin-1-yl)propan-1-one is:

  InChI=1S/C14H19NO/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15/h1,3-4,7-8H,2,5-6,9-12H2

  It can provide a standard way to encode the molecular information of 1-phenyl-3-(piperidin-1-yl)propan-1-one to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 1-phenyl-3-(piperidin-1-yl)propan-1-one is:

  InChIKey=BIBARRYXKABQKJ-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 1-phenyl-3-(piperidin-1-yl)propan-1-one, but it needs to be linked to the full InChI to get back to the original structure of the 1-phenyl-3-(piperidin-1-yl)propan-1-one since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 1-phenyl-3-(piperidin-1-yl)propan-1-one

  The 1-phenyl-3-(piperidin-1-yl)propan-1-one compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1-phenyl-3-(piperidin-1-yl)propan-1-one including the registry numbers are listed below, if available:

  • AR-1L8729
  • A837881
  • B-1761
  • 3-(1-Piperidinyl)propiophenone hydroChloride
  • 1-Phenyl-3-(1-piperidinyl)-1-propanone #
  • 1-Propanone, 1-phenyl-3-(1-piperidyl)-
  • BAS 00390662
  • 1-Phenyl-3-(1-piperidinyl)-1-propanone
  • 1-phenyl-3-piperidin-1-ylpropan-1-one
  • 1-phenyl-3-(1-piperidyl)propan-1-one

  • Propiophenone, 3-piperidino- (8CI)
  • HMS1680G22
  • 1-Propanone, 1-phenyl-3-(1-piperidinyl)- (9CI)
  • beta-1-Piperidylpropiophenone
  • XFA6RU9GWY
  • 3-Piperidinopropiophenon
  • 3- propiophenoneHCl
  • N-(beta-Benzoylethyl)piperidine
  • 1-Propanone, 1-phenyl-3-(1-piperidinyl)-
  • 1-Propanone,1-phenyl-3-(1-piperidinyl)-

  • 1-Phenyl-3-piperidin-1-yl-propan-1-one
  • NA 65
  • N-(.beta.-Benzoylethyl)piperidine
  • .beta.-Piperidinopropiophenone
  • Propiophenone, 3-piperidino-
  • beta-Piperidinopropiophenone
  • Piperidine, 1-(2-benzoylethyl)-
  • 3-Piperidinopropiophenone
  • 73-63-2

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1-phenyl-3-(piperidin-1-yl)propan-1-one Identification Summary Frequently Asked Questions (FAQs)

What’s the 1-phenyl-3-(piperidin-1-yl)propan-1-one formula?
C14H19NO
How many atoms and what elements are included in the 1-phenyl-3-(piperidin-1-yl)propan-1-one molecule?
35 atom(s) - 19 Hydrogen atom(s), 14 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 1-phenyl-3-(piperidin-1-yl)propan-1-one structure?
36 bond(s) - 17 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 ketone(s) (aromatic), and 1 tertiary amine(s) (aliphatic)
What’s the 1-phenyl-3-(piperidin-1-yl)propan-1-one’s molar mass?
217.30676 g/mol
What’s the SMILES structure of 1-phenyl-3-(piperidin-1-yl)propan-1-one?
O=C(CCN1CCCCC1)c2ccccc2
What’s the InChI code of 1-phenyl-3-(piperidin-1-yl)propan-1-one?
InChI=1S/C14H19NO/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15/h1,3-4,7-8H,2,5-6,9-12H2
What’s the InChIKey format of 1-phenyl-3-(piperidin-1-yl)propan-1-one?
BIBARRYXKABQKJ-UHFFFAOYSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).