(3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one

C19H21NO2 — CID 166440267

IUPAC(3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one
SMILESO=C1[C@H]([C@H](O)c2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C19H21NO2/c21-18(16-10-5-2-6-11-16)17-12-7-13-20(19(17)22)14-15-8-3-1-4-9-15/h1-6,8-11,17-18,21H,7,12-14H2/t17-,18+/m0/s1
InChIKeyLLSXNYNDMVYILK-ZWKOTPCHSA-N
MW295.38 g/mol
LogP3.16
Rot. Bonds4

About (3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one

(3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one (PubChem CID 166440267) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one
PubChem CID166440267
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one
SMILESO=C1[C@H]([C@H](O)c2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C19H21NO2/c21-18(16-10-5-2-6-11-16)17-12-7-13-20(19(17)22)14-15-8-3-1-4-9-15/h1-6,8-11,17-18,21H,7,12-14H2/t17-,18+/m0/s1
InChIKeyLLSXNYNDMVYILK-ZWKOTPCHSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one?
The IUPAC name of (3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one (CID 166440267) is (3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one?
The canonical SMILES for (3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one is O=C1[C@H]([C@H](O)c2ccccc2)CCCN1Cc1ccccc1.
What is the InChIKey of (3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one?
The InChIKey is LLSXNYNDMVYILK-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18(16-10-5-2-6-11-16)17-12-7-13-20(19(17)22)14-15-8-3-1-4-9-15/h1-6,8-11,17-18,21H,7,12-14H2/t17-,18+/m0/s1.
What are the key properties of (3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one?
(3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one is sourced from PubChem (CID 166440267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).