2,2-dimethylpiperidin-4-one;hydrochloride

C7H14ClNO — CID 53407261

IUPAC2,2-dimethylpiperidin-4-one;hydrochloride
SMILESCC1(C)CC(=O)CCN1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-7(2)5-6(9)3-4-8-7;/h8H,3-5H2,1-2H3;1H
InChIKeyWFLSRZDZQPQMBM-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.14
Rot. Bonds

About 2,2-dimethylpiperidin-4-one;hydrochloride

2,2-dimethylpiperidin-4-one;hydrochloride (PubChem CID 53407261) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2,2-dimethylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name2,2-dimethylpiperidin-4-one;hydrochloride
PubChem CID53407261
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2,2-dimethylpiperidin-4-one;hydrochloride
SMILESCC1(C)CC(=O)CCN1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-7(2)5-6(9)3-4-8-7;/h8H,3-5H2,1-2H3;1H
InChIKeyWFLSRZDZQPQMBM-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethylpiperidin-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpiperidin-4-one;hydrochloride?
The IUPAC name of 2,2-dimethylpiperidin-4-one;hydrochloride (CID 53407261) is 2,2-dimethylpiperidin-4-one;hydrochloride.
What is the SMILES notation for 2,2-dimethylpiperidin-4-one;hydrochloride?
The canonical SMILES for 2,2-dimethylpiperidin-4-one;hydrochloride is CC1(C)CC(=O)CCN1.Cl.
What is the InChIKey of 2,2-dimethylpiperidin-4-one;hydrochloride?
The InChIKey is WFLSRZDZQPQMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-7(2)5-6(9)3-4-8-7;/h8H,3-5H2,1-2H3;1H.
What are the key properties of 2,2-dimethylpiperidin-4-one;hydrochloride?
2,2-dimethylpiperidin-4-one;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 53407261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).