(2S)-2-(3-phenylphenyl)piperidine;hydrochloride

C17H20ClN — CID 171195217

IUPAC(2S)-2-(3-phenylphenyl)piperidine;hydrochloride
SMILESCl.c1ccc(-c2cccc([C@@H]3CCCCN3)c2)cc1
InChIInChI=1S/C17H19N.ClH/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;/h1-3,6-10,13,17-18H,4-5,11-12H2;1H/t17-;/m0./s1
InChIKeyYVNOZLDAGCIUBT-LMOVPXPDSA-N
MW273.81 g/mol
LogP4.59
Rot. Bonds2

About (2S)-2-(3-phenylphenyl)piperidine;hydrochloride

(2S)-2-(3-phenylphenyl)piperidine;hydrochloride (PubChem CID 171195217) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is (2S)-2-(3-phenylphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(3-phenylphenyl)piperidine;hydrochloride
PubChem CID171195217
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name(2S)-2-(3-phenylphenyl)piperidine;hydrochloride
SMILESCl.c1ccc(-c2cccc([C@@H]3CCCCN3)c2)cc1
InChIInChI=1S/C17H19N.ClH/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;/h1-3,6-10,13,17-18H,4-5,11-12H2;1H/t17-;/m0./s1
InChIKeyYVNOZLDAGCIUBT-LMOVPXPDSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[(2S)-piperidin-2-yl]phenol
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CID 154803675
2-(3-methylphenyl)pyrrolidine;hydrochloride
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CID 131060850
3-[(2S)-piperidin-2-yl]benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-phenylphenyl)piperidine;hydrochloride?
The IUPAC name of (2S)-2-(3-phenylphenyl)piperidine;hydrochloride (CID 171195217) is (2S)-2-(3-phenylphenyl)piperidine;hydrochloride.
What is the SMILES notation for (2S)-2-(3-phenylphenyl)piperidine;hydrochloride?
The canonical SMILES for (2S)-2-(3-phenylphenyl)piperidine;hydrochloride is Cl.c1ccc(-c2cccc([C@@H]3CCCCN3)c2)cc1.
What is the InChIKey of (2S)-2-(3-phenylphenyl)piperidine;hydrochloride?
The InChIKey is YVNOZLDAGCIUBT-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H19N.ClH/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;/h1-3,6-10,13,17-18H,4-5,11-12H2;1H/t17-;/m0./s1.
What are the key properties of (2S)-2-(3-phenylphenyl)piperidine;hydrochloride?
(2S)-2-(3-phenylphenyl)piperidine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-phenylphenyl)piperidine;hydrochloride is sourced from PubChem (CID 171195217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).