2-methylpiperidin-4-one

C6H11NO — CID 4913038

IUPAC2-methylpiperidin-4-one
SMILESCC1CC(=O)CCN1
InChIInChI=1S/C6H11NO/c1-5-4-6(8)2-3-7-5/h5,7H,2-4H2,1H3
InChIKeyOFVHMZSKMQPCKB-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.33
Rot. Bonds

About 2-methylpiperidin-4-one

2-methylpiperidin-4-one (PubChem CID 4913038) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methylpiperidin-4-one.

Molecular Properties

Compound Name2-methylpiperidin-4-one
PubChem CID4913038
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-methylpiperidin-4-one
SMILESCC1CC(=O)CCN1
InChIInChI=1S/C6H11NO/c1-5-4-6(8)2-3-7-5/h5,7H,2-4H2,1H3
InChIKeyOFVHMZSKMQPCKB-UHFFFAOYSA-N
XLogP0.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Piperidinyl)-2-propanone
CID 92987
Pelletierine
CID 3034881
4-Piperidone
CID 33721
4-Piperidone hydrochloride
CID 3084851
1,2-Dimethylpiperidin-4-one
CID 12424039
(-)-Pinidinone
CID 11159443
2,6-Dimethylpiperidin-4-one
CID 11040712
1-[(2S)-Piperidin-2-yl]ethan-1-one
CID 10879277
1-(6-Methylpiperidin-2-yl)propan-2-one
CID 549824
4-Piperidinone, 2,5-dimethyl-
CID 11228802
Pelletierine, (+)-
CID 10313185
1-(Piperidin-2-yl)butan-2-one
CID 67992714

Frequently Asked Questions

What is the IUPAC name of 2-methylpiperidin-4-one?
The IUPAC name of 2-methylpiperidin-4-one (CID 4913038) is 2-methylpiperidin-4-one.
What is the SMILES notation for 2-methylpiperidin-4-one?
The canonical SMILES for 2-methylpiperidin-4-one is CC1CC(=O)CCN1.
What is the InChIKey of 2-methylpiperidin-4-one?
The InChIKey is OFVHMZSKMQPCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-4-6(8)2-3-7-5/h5,7H,2-4H2,1H3.
What are the key properties of 2-methylpiperidin-4-one?
2-methylpiperidin-4-one has a molecular weight of 113.16 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpiperidin-4-one is sourced from PubChem (CID 4913038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).