[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone

C19H21NO — CID 155929798

IUPAC[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H21NO/c21-19(17-11-5-2-6-12-17)20-14-8-7-13-18(20)15-16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15H2/t18-/m0/s1
InChIKeyPFYHEFUOUNYRCX-SFHVURJKSA-N
MW279.38 g/mol
LogP3.92
Rot. Bonds3

About [(2S)-2-benzylpiperidin-1-yl]-phenylmethanone

[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone (PubChem CID 155929798) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is [(2S)-2-benzylpiperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
PubChem CID155929798
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H21NO/c21-19(17-11-5-2-6-12-17)20-14-8-7-13-18(20)15-16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15H2/t18-/m0/s1
InChIKeyPFYHEFUOUNYRCX-SFHVURJKSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-2-benzylpiperidin-1-yl]-[4-[(R)-methylsulfinyl]phenyl]methanone
CID 95637474
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone
CID 75402551
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119183550
methyl 2-benzylazepane-1-carboxylate
CID 102314657
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 32822941

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzylpiperidin-1-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-benzylpiperidin-1-yl]-phenylmethanone (CID 155929798) is [(2S)-2-benzylpiperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-benzylpiperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-benzylpiperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC[C@H]1Cc1ccccc1.
What is the InChIKey of [(2S)-2-benzylpiperidin-1-yl]-phenylmethanone?
The InChIKey is PFYHEFUOUNYRCX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO/c21-19(17-11-5-2-6-12-17)20-14-8-7-13-18(20)15-16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15H2/t18-/m0/s1.
What are the key properties of [(2S)-2-benzylpiperidin-1-yl]-phenylmethanone?
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone has a molecular weight of 279.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-benzylpiperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 155929798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).