2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride

C24H25ClN2O — CID 3046842

IUPAC2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(C(c1ccccc1)c1ccccc1)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C24H24N2O.ClH/c27-24(26-17-8-7-15-22(26)21-14-9-16-25-18-21)23(19-10-3-1-4-11-19)20-12-5-2-6-13-20;/h1-6,9-14,16,18,22-23H,7-8,15,17H2;1H/t22-;/m0./s1
InChIKeyKVKCUCWVDAZSIT-FTBISJDPSA-N
MW392.93 g/mol
LogP5.39
Rot. Bonds4

About 2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride

2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride (PubChem CID 3046842) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is 2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride
PubChem CID3046842
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC Name2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(C(c1ccccc1)c1ccccc1)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C24H24N2O.ClH/c27-24(26-17-8-7-15-22(26)21-14-9-16-25-18-21)23(19-10-3-1-4-11-19)20-12-5-2-6-13-20;/h1-6,9-14,16,18,22-23H,7-8,15,17H2;1H/t22-;/m0./s1
InChIKeyKVKCUCWVDAZSIT-FTBISJDPSA-N
XLogP5.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride (CID 3046842) is 2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride is Cl.O=C(C(c1ccccc1)c1ccccc1)N1CCCC[C@H]1c1cccnc1.
What is the InChIKey of 2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride?
The InChIKey is KVKCUCWVDAZSIT-FTBISJDPSA-N. The full InChI is InChI=1S/C24H24N2O.ClH/c27-24(26-17-8-7-15-22(26)21-14-9-16-25-18-21)23(19-10-3-1-4-11-19)20-12-5-2-6-13-20;/h1-6,9-14,16,18,22-23H,7-8,15,17H2;1H/t22-;/m0./s1.
What are the key properties of 2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride?
2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 3046842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).