3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride

C11H20ClNO2 — CID 75494112

IUPAC3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride
SMILESCl.O=C1CCOCC1CN1CCCCC1
InChIInChI=1S/C11H19NO2.ClH/c13-11-4-7-14-9-10(11)8-12-5-2-1-3-6-12;/h10H,1-9H2;1H
InChIKeyZEXYBRZUYXERGX-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.50
Rot. Bonds2

About 3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride

3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride (PubChem CID 75494112) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride
PubChem CID75494112
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride
SMILESCl.O=C1CCOCC1CN1CCCCC1
InChIInChI=1S/C11H19NO2.ClH/c13-11-4-7-14-9-10(11)8-12-5-2-1-3-6-12;/h10H,1-9H2;1H
InChIKeyZEXYBRZUYXERGX-UHFFFAOYSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(piperidin-1-ylmethyl)oxan-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 3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride?
The IUPAC name of 3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride (CID 75494112) is 3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride?
The canonical SMILES for 3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride is Cl.O=C1CCOCC1CN1CCCCC1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride?
The InChIKey is ZEXYBRZUYXERGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c13-11-4-7-14-9-10(11)8-12-5-2-1-3-6-12;/h10H,1-9H2;1H.
What are the key properties of 3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride?
3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)oxan-4-one;hydrochloride is sourced from PubChem (CID 75494112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).