(3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one

C17H16ClNO — CID 3065191

IUPAC(3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one
SMILESO=C1NCC[C@H](c2ccccc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO/c18-14-8-6-13(7-9-14)16-15(10-11-19-17(16)20)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2,(H,19,20)/t15-,16-/m1/s1
InChIKeyGXMMERGBGMKTND-HZPDHXFCSA-N
MW285.77 g/mol
LogP3.73
Rot. Bonds2

About (3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one

(3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one (PubChem CID 3065191) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one
PubChem CID3065191
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one
SMILESO=C1NCC[C@H](c2ccccc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO/c18-14-8-6-13(7-9-14)16-15(10-11-19-17(16)20)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2,(H,19,20)/t15-,16-/m1/s1
InChIKeyGXMMERGBGMKTND-HZPDHXFCSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one?
The IUPAC name of (3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one (CID 3065191) is (3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one.
What is the SMILES notation for (3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one?
The canonical SMILES for (3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one is O=C1NCC[C@H](c2ccccc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one?
The InChIKey is GXMMERGBGMKTND-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-14-8-6-13(7-9-14)16-15(10-11-19-17(16)20)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2,(H,19,20)/t15-,16-/m1/s1.
What are the key properties of (3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one?
(3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one has a molecular weight of 285.77 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one is sourced from PubChem (CID 3065191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).