ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate

C15H25NO2 — CID 6456283

IUPACethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC2CC=CCC2)C1
InChIInChI=1S/C15H25NO2/c1-2-18-15(17)14-9-6-10-16(12-14)11-13-7-4-3-5-8-13/h3-4,13-14H,2,5-12H2,1H3
InChIKeyQHURNWZSCHCKLD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.62
Rot. Bonds4

About ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate

ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate (PubChem CID 6456283) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate
PubChem CID6456283
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nameethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC2CC=CCC2)C1
InChIInChI=1S/C15H25NO2/c1-2-18-15(17)14-9-6-10-16(12-14)11-13-7-4-3-5-8-13/h3-4,13-14H,2,5-12H2,1H3
InChIKeyQHURNWZSCHCKLD-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate 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 ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate (CID 6456283) is ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC2CC=CCC2)C1.
What is the InChIKey of ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate?
The InChIKey is QHURNWZSCHCKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-18-15(17)14-9-6-10-16(12-14)11-13-7-4-3-5-8-13/h3-4,13-14H,2,5-12H2,1H3.
What are the key properties of ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate?
ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate has a molecular weight of 251.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 6456283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).