3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine

C15H24N4 — CID 82484820

IUPAC3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine
SMILESC1=C(CCn2cnnc2C2CCCNC2)CCCC1
InChIInChI=1S/C15H24N4/c1-2-5-13(6-3-1)8-10-19-12-17-18-15(19)14-7-4-9-16-11-14/h5,12,14,16H,1-4,6-11H2
InChIKeyORAVEVUTCUDSRQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.64
Rot. Bonds4

About 3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine

3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine (PubChem CID 82484820) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine
PubChem CID82484820
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine
SMILESC1=C(CCn2cnnc2C2CCCNC2)CCCC1
InChIInChI=1S/C15H24N4/c1-2-5-13(6-3-1)8-10-19-12-17-18-15(19)14-7-4-9-16-11-14/h5,12,14,16H,1-4,6-11H2
InChIKeyORAVEVUTCUDSRQ-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine 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-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine (CID 82484820) is 3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine is C1=C(CCn2cnnc2C2CCCNC2)CCCC1.
What is the InChIKey of 3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine?
The InChIKey is ORAVEVUTCUDSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-5-13(6-3-1)8-10-19-12-17-18-15(19)14-7-4-9-16-11-14/h5,12,14,16H,1-4,6-11H2.
What are the key properties of 3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine?
3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine has a molecular weight of 260.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 82484820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).