(3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one

C7H13NO2 — CID 97180444

IUPAC(3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one
SMILESC[C@@H]1CC[C@@H](CO)C(=O)N1
InChIInChI=1S/C7H13NO2/c1-5-2-3-6(4-9)7(10)8-5/h5-6,9H,2-4H2,1H3,(H,8,10)/t5-,6+/m1/s1
InChIKeyCYNCGDBIXFFFSZ-RITPCOANSA-N
MW143.19 g/mol
LogP-0.11
Rot. Bonds1

About (3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one

(3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one (PubChem CID 97180444) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one.

Molecular Properties

Compound Name(3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one
PubChem CID97180444
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one
SMILESC[C@@H]1CC[C@@H](CO)C(=O)N1
InChIInChI=1S/C7H13NO2/c1-5-2-3-6(4-9)7(10)8-5/h5-6,9H,2-4H2,1H3,(H,8,10)/t5-,6+/m1/s1
InChIKeyCYNCGDBIXFFFSZ-RITPCOANSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one?
The IUPAC name of (3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one (CID 97180444) is (3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one.
What is the SMILES notation for (3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one?
The canonical SMILES for (3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one is C[C@@H]1CC[C@@H](CO)C(=O)N1.
What is the InChIKey of (3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one?
The InChIKey is CYNCGDBIXFFFSZ-RITPCOANSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-2-3-6(4-9)7(10)8-5/h5-6,9H,2-4H2,1H3,(H,8,10)/t5-,6+/m1/s1.
What are the key properties of (3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one?
(3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one is sourced from PubChem (CID 97180444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).