1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

C15H26N4 — CID 53192268

IUPAC1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCN(CC3CCCCC3)CC2)n[nH]1
InChIInChI=1S/C15H26N4/c1-12-16-15(18-17-12)14-7-9-19(10-8-14)11-13-5-3-2-4-6-13/h13-14H,2-11H2,1H3,(H,16,17,18)
InChIKeyQRCKIRHEWUIZSV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds3

About 1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192268) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID53192268
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCN(CC3CCCCC3)CC2)n[nH]1
InChIInChI=1S/C15H26N4/c1-12-16-15(18-17-12)14-7-9-19(10-8-14)11-13-5-3-2-4-6-13/h13-14H,2-11H2,1H3,(H,16,17,18)
InChIKeyQRCKIRHEWUIZSV-UHFFFAOYSA-N
XLogP2.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexylmethyl)-4-(5-methyl-1H-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 1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (CID 53192268) is 1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is Cc1nc(C2CCN(CC3CCCCC3)CC2)n[nH]1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is QRCKIRHEWUIZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12-16-15(18-17-12)14-7-9-19(10-8-14)11-13-5-3-2-4-6-13/h13-14H,2-11H2,1H3,(H,16,17,18).
What are the key properties of 1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 262.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).