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

C18H19NO — CID 3065195

IUPAC(3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one
SMILESCc1ccc([C@@H]2CCNC(=O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-13-7-9-14(10-8-13)16-11-12-19-18(20)17(16)15-5-3-2-4-6-15/h2-10,16-17H,11-12H2,1H3,(H,19,20)/t16-,17+/m0/s1
InChIKeyDGDVQXNYCIAMMV-DLBZAZTESA-N
MW265.36 g/mol
LogP3.38
Rot. Bonds2

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

(3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one (PubChem CID 3065195) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one
PubChem CID3065195
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one
SMILESCc1ccc([C@@H]2CCNC(=O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-13-7-9-14(10-8-13)16-11-12-19-18(20)17(16)15-5-3-2-4-6-15/h2-10,16-17H,11-12H2,1H3,(H,19,20)/t16-,17+/m0/s1
InChIKeyDGDVQXNYCIAMMV-DLBZAZTESA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.38
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-methylphenyl)-3-phenylpiperidin-2-one?
The IUPAC name of (3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one (CID 3065195) is (3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one.
What is the SMILES notation for (3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one?
The canonical SMILES for (3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one is Cc1ccc([C@@H]2CCNC(=O)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one?
The InChIKey is DGDVQXNYCIAMMV-DLBZAZTESA-N. The full InChI is InChI=1S/C18H19NO/c1-13-7-9-14(10-8-13)16-11-12-19-18(20)17(16)15-5-3-2-4-6-15/h2-10,16-17H,11-12H2,1H3,(H,19,20)/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one?
(3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 3.38, 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-methylphenyl)-3-phenylpiperidin-2-one is sourced from PubChem (CID 3065195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).