(5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one

C8H15NO2 — CID 102384345

IUPAC(5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one
SMILESCC(C)[C@@H]1NC(=O)CC[C@H]1O
InChIInChI=1S/C8H15NO2/c1-5(2)8-6(10)3-4-7(11)9-8/h5-6,8,10H,3-4H2,1-2H3,(H,9,11)/t6-,8+/m1/s1
InChIKeyDTWMSDIDVMKJAE-SVRRBLITSA-N
MW157.21 g/mol
LogP0.28
Rot. Bonds1

About (5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one

(5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one (PubChem CID 102384345) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one
PubChem CID102384345
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one
SMILESCC(C)[C@@H]1NC(=O)CC[C@H]1O
InChIInChI=1S/C8H15NO2/c1-5(2)8-6(10)3-4-7(11)9-8/h5-6,8,10H,3-4H2,1-2H3,(H,9,11)/t6-,8+/m1/s1
InChIKeyDTWMSDIDVMKJAE-SVRRBLITSA-N
XLogP0.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S,5S)-5-Amino-4-hydroxy-2,7-dimethyl-octanoic acid butylamide
CID 44287451
(5R,6S)-5-hydroxy-6-methyl-piperidin-2-one
CID 10678260
(6R)-6-[(1R)-1-hydroxypropyl]piperidin-2-one
CID 130891776
(3S,5S,6S)-6-Cyclohexylmethyl-5-hydroxy-3-isopropylpiperidin-2-one
CID 10198938
(4S,5S)-5-amino-2-ethyl-4-hydroxy-7-methyl-N-(2-methylpropyl)octanamide
CID 14582180
(2RS,4S,5S)-5-amino-2-ethyl-4-hydroxy-7-methyloctanoic acid isobutylamide monohydrochloride
CID 14582181
(2S,4S,5S)-5-amino-2-ethyl-4-hydroxy-7-methyl-N-(2-methylpropyl)octanamide
CID 14582182
6-Cyclohexylmethyl-5-hydroxy-3-isopropylpiperidin-2-one
CID 19751082
5-Acetamido-4-hydroxy-2-methylhexanamide;actinium
CID 20577875
5-Acetamido-4-hydroxy-2-methylhexanamide
CID 20577876
5-acetamido-4-hydroxy-N,N,2-trimethylhexanamide;actinium
CID 20577879
5-acetamido-4-hydroxy-N,N,2-trimethylhexanamide
CID 20577880

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one?
The IUPAC name of (5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one (CID 102384345) is (5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one?
The canonical SMILES for (5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one is CC(C)[C@@H]1NC(=O)CC[C@H]1O.
What is the InChIKey of (5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one?
The InChIKey is DTWMSDIDVMKJAE-SVRRBLITSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)8-6(10)3-4-7(11)9-8/h5-6,8,10H,3-4H2,1-2H3,(H,9,11)/t6-,8+/m1/s1.
What are the key properties of (5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one?
(5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 102384345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).