Structure & Deep Data of (S)-1-benzyl-3-phenylpiperazine (C17H20N2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (S)-1-benzyl-3-phenylpiperazine molecule contains a total of 41 bond(s). There are 21 non-H bond(s), 12 multiple bond(s), 3 rotatable bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 secondary amine(s) (aliphatic), and 1 tertiary amine(s) (aliphatic). Images of the chemical structure of (S)-1-benzyl-3-phenylpiperazine are given below:

The 2D chemical structure image of (S)-1-benzyl-3-phenylpiperazine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (S)-1-benzyl-3-phenylpiperazine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of (S)-1-benzyl-3-phenylpiperazine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of (S)-1-benzyl-3-phenylpiperazine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying (S)-1-benzyl-3-phenylpiperazine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of (S)-1-benzyl-3-phenylpiperazine

  The SMILES string of (S)-1-benzyl-3-phenylpiperazine is C1CN(CC(N1)c2ccccc2)Cc3ccccc3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the (S)-1-benzyl-3-phenylpiperazine.

• Structure Data File (SDF/MOL File) of (S)-1-benzyl-3-phenylpiperazine

  The structure data file (SDF/MOL File) of (S)-1-benzyl-3-phenylpiperazine is available for download in the SDF page of (S)-1-benzyl-3-phenylpiperazine, which provides the information about the atoms, bonds, connectivity and coordinates of (S)-1-benzyl-3-phenylpiperazine. The (S)-1-benzyl-3-phenylpiperazine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of (S)-1-benzyl-3-phenylpiperazine

  The molecular formula of (S)-1-benzyl-3-phenylpiperazine is available in chemical formula page of (S)-1-benzyl-3-phenylpiperazine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of (S)-1-benzyl-3-phenylpiperazine

  The molecular weight of (S)-1-benzyl-3-phenylpiperazine is available in molecular weight page of (S)-1-benzyl-3-phenylpiperazine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of (S)-1-benzyl-3-phenylpiperazine

  The (S)-1-benzyl-3-phenylpiperazine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (S)-1-benzyl-3-phenylpiperazine including the various registry numbers, if available:

  • B-1446
  • 502482-38-4
  • (S)-1-benzyl-3-phenylpiperazine

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(S)-1-benzyl-3-phenylpiperazine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (S)-1-benzyl-3-phenylpiperazine?
C17H20N2
How many atoms and what are the elements included the (S)-1-benzyl-3-phenylpiperazine molecule?
39 atom(s) - 20 Hydrogen atom(s), 17 Carbon atom(s), and 2 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are included the (S)-1-benzyl-3-phenylpiperazine structure?
41 bond(s) - 21 non-H bond(s), 12 multiple bond(s), 3 rotatable bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 secondary amine(s) (aliphatic), and 1 tertiary amine(s) (aliphatic)
What’s the (S)-1-benzyl-3-phenylpiperazine’s molecular weight?
252.3541 g/mol
What’s the SMILES code of (S)-1-benzyl-3-phenylpiperazine?
C1CN(CC(N1)c2ccccc2)Cc3ccccc3
What’s the InChI string of (S)-1-benzyl-3-phenylpiperazine?
InChI=1S/C17H20N2/c1-3-7-15(8-4-1)13-19-12-11-18-17(14-19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-/m1/s1
What’s the InChIKey code of (S)-1-benzyl-3-phenylpiperazine?
KMOQMXILLUBOJL-QGZVFWFLSA-N

30 The contents of this page can freely be shared if cited as follows:
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).