5-(hydroxymethyl)piperidin-2-one

C6H11NO2 — CID 15386079

IUPAC5-(hydroxymethyl)piperidin-2-one
SMILESO=C1CCC(CO)CN1
InChIInChI=1S/C6H11NO2/c8-4-5-1-2-6(9)7-3-5/h5,8H,1-4H2,(H,7,9)
InChIKeyASQVPLMNHXQYMU-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.50
Rot. Bonds1

About 5-(hydroxymethyl)piperidin-2-one

5-(hydroxymethyl)piperidin-2-one (PubChem CID 15386079) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 5-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)piperidin-2-one
PubChem CID15386079
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name5-(hydroxymethyl)piperidin-2-one
SMILESO=C1CCC(CO)CN1
InChIInChI=1S/C6H11NO2/c8-4-5-1-2-6(9)7-3-5/h5,8H,1-4H2,(H,7,9)
InChIKeyASQVPLMNHXQYMU-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

6-Oxopiperidine-3-carboxylic acid
CID 560090
3-(2-Hydroxyethyl)piperidin-2-one
CID 281515
3-(Hydroxymethyl)piperidin-2-one
CID 10887933
4-(Hydroxymethyl)piperidin-2-one
CID 21840017
(3R)-6-oxopiperidine-3-carboxylic acid
CID 42546122
4-(2-Hydroxyethyl)piperidin-2-one
CID 70203271
5-(Hydroxymethyl)-1-methyl-2-piperidinone
CID 84648854
6-Hydroxypiperidin-2-one
CID 15405252
5-Fluoro-6-hydroxypiperidin-2-one
CID 141238197
6-Hydroxy-3-cyano-3,4,5,6-tetrahydropyridin-2(1h)-one
CID 129785785
5-(Hydroxymethyl)-4-(trifluoromethyl)piperidin-2-one
CID 84072605
3-(Hydroxymethyl)-4-(trifluoromethyl)piperidin-2-one
CID 84072606

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)piperidin-2-one?
The IUPAC name of 5-(hydroxymethyl)piperidin-2-one (CID 15386079) is 5-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)piperidin-2-one is O=C1CCC(CO)CN1.
What is the InChIKey of 5-(hydroxymethyl)piperidin-2-one?
The InChIKey is ASQVPLMNHXQYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-4-5-1-2-6(9)7-3-5/h5,8H,1-4H2,(H,7,9).
What are the key properties of 5-(hydroxymethyl)piperidin-2-one?
5-(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 5-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 15386079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).