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

C17H16ClNO — CID 3065192

IUPAC(3S,4R)-4-(4-chlorophenyl)-3-phenylpiperidin-2-one
SMILESO=C1NCC[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H16ClNO/c18-14-8-6-12(7-9-14)15-10-11-19-17(20)16(15)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H,19,20)/t15-,16+/m0/s1
InChIKeyWVAOOJWWVVVNGE-JKSUJKDBSA-N
MW285.77 g/mol
LogP3.73
Rot. Bonds2

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

(3S,4R)-4-(4-chlorophenyl)-3-phenylpiperidin-2-one (PubChem CID 3065192) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (3S,4R)-4-(4-chlorophenyl)-3-phenylpiperidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-(4-chlorophenyl)-3-phenylpiperidin-2-one
PubChem CID3065192
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(3S,4R)-4-(4-chlorophenyl)-3-phenylpiperidin-2-one
SMILESO=C1NCC[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H16ClNO/c18-14-8-6-12(7-9-14)15-10-11-19-17(20)16(15)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H,19,20)/t15-,16+/m0/s1
InChIKeyWVAOOJWWVVVNGE-JKSUJKDBSA-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,4R)-4-(4-chlorophenyl)-3-phenylpiperidin-2-one?
The IUPAC name of (3S,4R)-4-(4-chlorophenyl)-3-phenylpiperidin-2-one (CID 3065192) is (3S,4R)-4-(4-chlorophenyl)-3-phenylpiperidin-2-one.
What is the SMILES notation for (3S,4R)-4-(4-chlorophenyl)-3-phenylpiperidin-2-one?
The canonical SMILES for (3S,4R)-4-(4-chlorophenyl)-3-phenylpiperidin-2-one is O=C1NCC[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-(4-chlorophenyl)-3-phenylpiperidin-2-one?
The InChIKey is WVAOOJWWVVVNGE-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-14-8-6-12(7-9-14)15-10-11-19-17(20)16(15)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H,19,20)/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-4-(4-chlorophenyl)-3-phenylpiperidin-2-one?
(3S,4R)-4-(4-chlorophenyl)-3-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,4R)-4-(4-chlorophenyl)-3-phenylpiperidin-2-one is sourced from PubChem (CID 3065192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).