3-(hydroxymethyl)piperidin-2-one

C6H11NO2 — CID 10887933

IUPAC3-(hydroxymethyl)piperidin-2-one
SMILESO=C1NCCCC1CO
InChIInChI=1S/C6H11NO2/c8-4-5-2-1-3-7-6(5)9/h5,8H,1-4H2,(H,7,9)
InChIKeyMCMKNOXDUBESOF-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.50
Rot. Bonds1

About 3-(hydroxymethyl)piperidin-2-one

3-(hydroxymethyl)piperidin-2-one (PubChem CID 10887933) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)piperidin-2-one
PubChem CID10887933
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-(hydroxymethyl)piperidin-2-one
SMILESO=C1NCCCC1CO
InChIInChI=1S/C6H11NO2/c8-4-5-2-1-3-7-6(5)9/h5,8H,1-4H2,(H,7,9)
InChIKeyMCMKNOXDUBESOF-UHFFFAOYSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxo-3-piperidinecarboxylic acid
CID 12388269
5-(Hydroxymethyl)piperidin-2-one
CID 15386079
3-(Hydroxymethyl)-1-methylpiperidin-2-one
CID 16719427
4-(2-Hydroxyethyl)piperidin-2-one
CID 70203271
3,6-Bis(hydroxymethyl)piperidin-2-one
CID 90792917
(3S,6R)-3-(hydroxymethyl)-6-methylpiperidin-2-one
CID 97180444
(3R)-3-ethyl-3-(hydroxymethyl)piperidin-2-one
CID 130656110
(3S)-3-ethyl-3-(hydroxymethyl)piperidin-2-one
CID 179076632
5-(Hydroxymethyl)-4-(trifluoromethyl)piperidin-2-one
CID 84072605
3-(Hydroxymethyl)-4-(trifluoromethyl)piperidin-2-one
CID 84072606
N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide
CID 104857173
3-Fluoro-3-(hydroxymethyl)piperidin-2-one
CID 168025249

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)piperidin-2-one?
The IUPAC name of 3-(hydroxymethyl)piperidin-2-one (CID 10887933) is 3-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for 3-(hydroxymethyl)piperidin-2-one is O=C1NCCCC1CO.
What is the InChIKey of 3-(hydroxymethyl)piperidin-2-one?
The InChIKey is MCMKNOXDUBESOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-4-5-2-1-3-7-6(5)9/h5,8H,1-4H2,(H,7,9).
What are the key properties of 3-(hydroxymethyl)piperidin-2-one?
3-(hydroxymethyl)piperidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 10887933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).