(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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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).