2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone

C14H23NO2 — CID 55212759

IUPAC2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCCCC1CO
InChIInChI=1S/C14H23NO2/c16-11-13-8-4-5-9-15(13)14(17)10-12-6-2-1-3-7-12/h6,13,16H,1-5,7-11H2
InChIKeyBUQIOTISNRLMTR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.25
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone

2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 55212759) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID55212759
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCCCC1CO
InChIInChI=1S/C14H23NO2/c16-11-13-8-4-5-9-15(13)14(17)10-12-6-2-1-3-7-12/h6,13,16H,1-5,7-11H2
InChIKeyBUQIOTISNRLMTR-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone 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-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone (CID 55212759) is 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CC1=CCCCC1)N1CCCCC1CO.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is BUQIOTISNRLMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-11-13-8-4-5-9-15(13)14(17)10-12-6-2-1-3-7-12/h6,13,16H,1-5,7-11H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 237.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 55212759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).