(3S,6S)-3-hydroxy-6-methylpiperidin-2-one

C6H11NO2 — CID 55287608

IUPAC(3S,6S)-3-hydroxy-6-methylpiperidin-2-one
SMILESC[C@H]1CC[C@H](O)C(=O)N1
InChIInChI=1S/C6H11NO2/c1-4-2-3-5(8)6(9)7-4/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5-/m0/s1
InChIKeyICTSFRZRPJLPQH-WHFBIAKZSA-N
MW129.16 g/mol
LogP-0.35
Rot. Bonds

About (3S,6S)-3-hydroxy-6-methylpiperidin-2-one

(3S,6S)-3-hydroxy-6-methylpiperidin-2-one (PubChem CID 55287608) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3S,6S)-3-hydroxy-6-methylpiperidin-2-one.

Molecular Properties

Compound Name(3S,6S)-3-hydroxy-6-methylpiperidin-2-one
PubChem CID55287608
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3S,6S)-3-hydroxy-6-methylpiperidin-2-one
SMILESC[C@H]1CC[C@H](O)C(=O)N1
InChIInChI=1S/C6H11NO2/c1-4-2-3-5(8)6(9)7-4/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5-/m0/s1
InChIKeyICTSFRZRPJLPQH-WHFBIAKZSA-N
XLogP-0.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid
CID 68848721
(3R,6R)-3-ethyl-6-methylpiperidin-2-one
CID 122155636
(3R)-3-hydroxypyrrolidin-2-one
CID 641547
(3R)-3,6-dihydroxycyclohexane-1,2-dione
CID 123290269
3-bromo-8-methylazocan-2-one
CID 23322544
3-(3-aminopropyl)-6-methylpiperidin-2-one
CID 170552046
(5S)-5-methylpyrrolidin-2-one
CID 7458701
tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate
CID 155351163
[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid
CID 155145749
(3S)-3-hydroxypiperidin-2-one;hydrochloride
CID 154574764
3,6-dimethylpiperazin-2-one;hydrochloride
CID 74890092
(3S)-3-hydroxypyrrolidine-2,5-dione
CID 66575038

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-hydroxy-6-methylpiperidin-2-one?
The IUPAC name of (3S,6S)-3-hydroxy-6-methylpiperidin-2-one (CID 55287608) is (3S,6S)-3-hydroxy-6-methylpiperidin-2-one.
What is the SMILES notation for (3S,6S)-3-hydroxy-6-methylpiperidin-2-one?
The canonical SMILES for (3S,6S)-3-hydroxy-6-methylpiperidin-2-one is C[C@H]1CC[C@H](O)C(=O)N1.
What is the InChIKey of (3S,6S)-3-hydroxy-6-methylpiperidin-2-one?
The InChIKey is ICTSFRZRPJLPQH-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-2-3-5(8)6(9)7-4/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5-/m0/s1.
What are the key properties of (3S,6S)-3-hydroxy-6-methylpiperidin-2-one?
(3S,6S)-3-hydroxy-6-methylpiperidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-hydroxy-6-methylpiperidin-2-one is sourced from PubChem (CID 55287608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).