4-(hydroxymethyl)-1-methylpiperidin-2-one

C7H13NO2 — CID 22030674

IUPAC4-(hydroxymethyl)-1-methylpiperidin-2-one
SMILESCN1CCC(CO)CC1=O
InChIInChI=1S/C7H13NO2/c1-8-3-2-6(5-9)4-7(8)10/h6,9H,2-5H2,1H3
InChIKeyQCFBLWLBSQDHDE-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.15
Rot. Bonds1

About 4-(hydroxymethyl)-1-methylpiperidin-2-one

4-(hydroxymethyl)-1-methylpiperidin-2-one (PubChem CID 22030674) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-methylpiperidin-2-one
PubChem CID22030674
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-(hydroxymethyl)-1-methylpiperidin-2-one
SMILESCN1CCC(CO)CC1=O
InChIInChI=1S/C7H13NO2/c1-8-3-2-6(5-9)4-7(8)10/h6,9H,2-5H2,1H3
InChIKeyQCFBLWLBSQDHDE-UHFFFAOYSA-N
XLogP-0.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Hydroxy-1-methylpiperidin-2-one
CID 58763646
4-(Hydroxymethyl)piperidin-2-one
CID 21840017
1-Methyl-2-oxopiperidine-4-carboxylic acid
CID 22265446
1-[4-(Hydroxymethyl)piperidin-1-yl]ethan-1-one
CID 18934923
Hydroxybutyl piperidone
CID 43509858
4-Hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 79192411
2-Fluoro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 130165235
Cyclopropyl-(4-hydroxymethyl-piperidin-1-yl)-methanone
CID 10012597
6-Hydroxy-1,4-dimethylpiperidin-2-one
CID 10419299
2-Cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 11820034
1-Ethyl-5-(2-hydroxyethyl)piperidin-2-one
CID 18726886
1-(4-(Hydroxymethyl)piperidin-1-yl)propan-1-one
CID 28345355

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-methylpiperidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-methylpiperidin-2-one (CID 22030674) is 4-(hydroxymethyl)-1-methylpiperidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-methylpiperidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-methylpiperidin-2-one is CN1CCC(CO)CC1=O.
What is the InChIKey of 4-(hydroxymethyl)-1-methylpiperidin-2-one?
The InChIKey is QCFBLWLBSQDHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-3-2-6(5-9)4-7(8)10/h6,9H,2-5H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-methylpiperidin-2-one?
4-(hydroxymethyl)-1-methylpiperidin-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 22030674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).