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

C18H19NO — CID 14913239

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

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

(3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one (PubChem CID 14913239) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one
PubChem CID14913239
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one
SMILESCc1ccc([C@@H]2C(=O)NCC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-13-7-9-15(10-8-13)17-16(11-12-19-18(17)20)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,19,20)/t16-,17-/m0/s1
InChIKeySBFDOSSVXOJNRJ-IRXDYDNUSA-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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Related Compounds

(3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one
CID 3065195
ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate
CID 141265276
3-methyl-1-(4-methylphenyl)-4,5,6,7a-tetrahydro-3aH-pyrazolo[3,4-c]pyridin-7-one
CID 20816143
3-[3-(4-methylphenyl)piperidin-4-yl]pyridine
CID 79441307
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
4-(4-methylphenyl)-1-oxido-3-phenylpiperidine
CID 88650309
(3S,4R)-4-(4-methoxyphenyl)-2-oxopiperidine-3-carboxylic acid
CID 140888273
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
3-phenyl-2-propan-2-ylpyrrolidine
CID 64689457
(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
CID 124508929
2-ethyl-3-phenylpyrrolidine
CID 62354556

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one?
The IUPAC name of (3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one (CID 14913239) is (3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one.
What is the SMILES notation for (3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one?
The canonical SMILES for (3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one is Cc1ccc([C@@H]2C(=O)NCC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one?
The InChIKey is SBFDOSSVXOJNRJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-7-9-15(10-8-13)17-16(11-12-19-18(17)20)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,19,20)/t16-,17-/m0/s1.
What are the key properties of (3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one?
(3R,4R)-3-(4-methylphenyl)-4-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 (3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one is sourced from PubChem (CID 14913239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).