(5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one

C13H17NO2 — CID 10013695

IUPAC(5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one
SMILESC[C@@H]1[C@@H](O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-10-12(15)7-8-13(16)14(10)9-11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyKHDHCTVXGPHWBQ-PWSUYJOCSA-N
MW219.28 g/mol
LogP1.56
Rot. Bonds2

About (5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one

(5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one (PubChem CID 10013695) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one
PubChem CID10013695
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one
SMILESC[C@@H]1[C@@H](O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-10-12(15)7-8-13(16)14(10)9-11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyKHDHCTVXGPHWBQ-PWSUYJOCSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Benzyl-6-hydroxy-2-azabicyclo(2.2.2)octan-3-one
CID 2802924
4-Hydroxy-1-(phenylmethyl)-2-piperidinone
CID 13610001
(3-Hydroxy-1-piperidinyl)phenylmethanone
CID 14920287
(3S,5R,6R)-1,3,6-Tribenzyl-5-hydroxy-piperidin-2-one
CID 468424
(7R,8aS)-2-benzyl-7-hydroxyhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 14914605
1-Benzyl-2-methylpiperidin-3-ol
CID 83848242
(3S,4R,5R)-1-benzyl-3,4,5-trihydroxypiperidin-2-one
CID 44566014
1-(2,3-Difluorobenzyl)-3-hydroxy-3-{[(2-hydroxyethyl)(methyl)amino]methyl}piperidin-2-one
CID 56711070
1-(2-Fluorobenzyl)-3-hydroxy-3-{[(2-hydroxyethyl)(methyl)amino]methyl}piperidin-2-one
CID 56715410
1-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-phenylpropan-1-one
CID 145978514
(3r,4r)-3,4-Dihydroxy-1-methyl-6-phenyl-piperidin-2-one
CID 10036457
1-Benzyl-3-(1-hydroxy-2-methylpropyl)piperidin-2-one
CID 76323320

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one?
The IUPAC name of (5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one (CID 10013695) is (5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one.
What is the SMILES notation for (5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one?
The canonical SMILES for (5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one is C[C@@H]1[C@@H](O)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of (5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one?
The InChIKey is KHDHCTVXGPHWBQ-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-12(15)7-8-13(16)14(10)9-11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3/t10-,12+/m1/s1.
What are the key properties of (5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one?
(5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-1-benzyl-5-hydroxy-6-methylpiperidin-2-one is sourced from PubChem (CID 10013695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).