1,4-dimethylpiperidin-2-one

C7H13NO — CID 22505787

IUPAC1,4-dimethylpiperidin-2-one
SMILESCC1CCN(C)C(=O)C1
InChIInChI=1S/C7H13NO/c1-6-3-4-8(2)7(9)5-6/h6H,3-5H2,1-2H3
InChIKeyJBCMUNOVVMEKMO-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.87
Rot. Bonds

About 1,4-dimethylpiperidin-2-one

1,4-dimethylpiperidin-2-one (PubChem CID 22505787) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1,4-dimethylpiperidin-2-one.

Molecular Properties

Compound Name1,4-dimethylpiperidin-2-one
PubChem CID22505787
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1,4-dimethylpiperidin-2-one
SMILESCC1CCN(C)C(=O)C1
InChIInChI=1S/C7H13NO/c1-6-3-4-8(2)7(9)5-6/h6H,3-5H2,1-2H3
InChIKeyJBCMUNOVVMEKMO-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidin-2-one?
The IUPAC name of 1,4-dimethylpiperidin-2-one (CID 22505787) is 1,4-dimethylpiperidin-2-one.
What is the SMILES notation for 1,4-dimethylpiperidin-2-one?
The canonical SMILES for 1,4-dimethylpiperidin-2-one is CC1CCN(C)C(=O)C1.
What is the InChIKey of 1,4-dimethylpiperidin-2-one?
The InChIKey is JBCMUNOVVMEKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-3-4-8(2)7(9)5-6/h6H,3-5H2,1-2H3.
What are the key properties of 1,4-dimethylpiperidin-2-one?
1,4-dimethylpiperidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidin-2-one is sourced from PubChem (CID 22505787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).