4-hydroxy-6-(2-methylpropyl)piperidin-2-one

C9H17NO2 — CID 5246681

IUPAC4-hydroxy-6-(2-methylpropyl)piperidin-2-one
SMILESCC(C)CC1CC(O)CC(=O)N1
InChIInChI=1S/C9H17NO2/c1-6(2)3-7-4-8(11)5-9(12)10-7/h6-8,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyYNECBNGEDLTMJO-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.67
Rot. Bonds2

About 4-hydroxy-6-(2-methylpropyl)piperidin-2-one

4-hydroxy-6-(2-methylpropyl)piperidin-2-one (PubChem CID 5246681) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-hydroxy-6-(2-methylpropyl)piperidin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(2-methylpropyl)piperidin-2-one
PubChem CID5246681
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-hydroxy-6-(2-methylpropyl)piperidin-2-one
SMILESCC(C)CC1CC(O)CC(=O)N1
InChIInChI=1S/C9H17NO2/c1-6(2)3-7-4-8(11)5-9(12)10-7/h6-8,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyYNECBNGEDLTMJO-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-6-[(3R)-3-hydroxyheptyl]piperidin-2-one
CID 25258793
(6R)-6-[(1R)-1-hydroxyhexyl]piperidin-2-one
CID 66573750
(4R,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one
CID 71376091
(4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one
CID 91005890
N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide
CID 135067414
(2R,3R)-3-hydroxy-N-((S)-1-hydroxypropan-2-yl)-2-methyldecanamide
CID 177896834
4-amino-3-hydroxy-6-methyl-N(2-methylbutyl)-heptanamide
CID 15594038
(3S,4S)-4-amino-3-hydroxy-6-methyl-N-(2-methylbutyl)heptanamide
CID 18610396
6-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 18789375
(3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide
CID 23577875
(3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide
CID 54411501
(3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide
CID 54432819

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(2-methylpropyl)piperidin-2-one?
The IUPAC name of 4-hydroxy-6-(2-methylpropyl)piperidin-2-one (CID 5246681) is 4-hydroxy-6-(2-methylpropyl)piperidin-2-one.
What is the SMILES notation for 4-hydroxy-6-(2-methylpropyl)piperidin-2-one?
The canonical SMILES for 4-hydroxy-6-(2-methylpropyl)piperidin-2-one is CC(C)CC1CC(O)CC(=O)N1.
What is the InChIKey of 4-hydroxy-6-(2-methylpropyl)piperidin-2-one?
The InChIKey is YNECBNGEDLTMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)3-7-4-8(11)5-9(12)10-7/h6-8,11H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 4-hydroxy-6-(2-methylpropyl)piperidin-2-one?
4-hydroxy-6-(2-methylpropyl)piperidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(2-methylpropyl)piperidin-2-one is sourced from PubChem (CID 5246681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).