1-piperidin-2-ylethanone;hydrochloride

C7H14ClNO — CID 53407241

IUPAC1-piperidin-2-ylethanone;hydrochloride
SMILESCC(=O)C1CCCCN1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-6(9)7-4-2-3-5-8-7;/h7-8H,2-5H2,1H3;1H
InChIKeyGIEAHXNYUNRUDM-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.14
Rot. Bonds1

About 1-piperidin-2-ylethanone;hydrochloride

1-piperidin-2-ylethanone;hydrochloride (PubChem CID 53407241) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 1-piperidin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-piperidin-2-ylethanone;hydrochloride
PubChem CID53407241
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name1-piperidin-2-ylethanone;hydrochloride
SMILESCC(=O)C1CCCCN1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-6(9)7-4-2-3-5-8-7;/h7-8H,2-5H2,1H3;1H
InChIKeyGIEAHXNYUNRUDM-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 1-piperidin-2-ylethanone;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 1-piperidin-2-ylethanone;hydrochloride?
The IUPAC name of 1-piperidin-2-ylethanone;hydrochloride (CID 53407241) is 1-piperidin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-piperidin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-piperidin-2-ylethanone;hydrochloride is CC(=O)C1CCCCN1.Cl.
What is the InChIKey of 1-piperidin-2-ylethanone;hydrochloride?
The InChIKey is GIEAHXNYUNRUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-6(9)7-4-2-3-5-8-7;/h7-8H,2-5H2,1H3;1H.
What are the key properties of 1-piperidin-2-ylethanone;hydrochloride?
1-piperidin-2-ylethanone;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-ylethanone;hydrochloride is sourced from PubChem (CID 53407241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).