4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine

C13H22N4 — CID 55107353

IUPAC4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine
SMILESc1nnc(C2CCNCC2)n1C1CCCCC1
InChIInChI=1S/C13H22N4/c1-2-4-12(5-3-1)17-10-15-16-13(17)11-6-8-14-9-7-11/h10-12,14H,1-9H2
InChIKeyIMNZUCOQLKQFHU-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.25
Rot. Bonds2

About 4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine

4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 55107353) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine
PubChem CID55107353
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine
SMILESc1nnc(C2CCNCC2)n1C1CCCCC1
InChIInChI=1S/C13H22N4/c1-2-4-12(5-3-1)17-10-15-16-13(17)11-6-8-14-9-7-11/h10-12,14H,1-9H2
InChIKeyIMNZUCOQLKQFHU-UHFFFAOYSA-N
XLogP2.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-cyclohexyl-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 4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine (CID 55107353) is 4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine is c1nnc(C2CCNCC2)n1C1CCCCC1.
What is the InChIKey of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is IMNZUCOQLKQFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-4-12(5-3-1)17-10-15-16-13(17)11-6-8-14-9-7-11/h10-12,14H,1-9H2.
What are the key properties of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine?
4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 234.35 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 55107353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).