4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine

C15H20N4O — CID 56755446

IUPAC4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESCOc1ccc(-n2cnnc2CC2CCNCC2)cc1
InChIInChI=1S/C15H20N4O/c1-20-14-4-2-13(3-5-14)19-11-17-18-15(19)10-12-6-8-16-9-7-12/h2-5,11-12,16H,6-10H2,1H3
InChIKeyCPEDAEXSGIZFMH-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.82
Rot. Bonds4

About 4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine

4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine (PubChem CID 56755446) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine
PubChem CID56755446
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESCOc1ccc(-n2cnnc2CC2CCNCC2)cc1
InChIInChI=1S/C15H20N4O/c1-20-14-4-2-13(3-5-14)19-11-17-18-15(19)10-12-6-8-16-9-7-12/h2-5,11-12,16H,6-10H2,1H3
InChIKeyCPEDAEXSGIZFMH-UHFFFAOYSA-N
XLogP1.82
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]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-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The IUPAC name of 4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine (CID 56755446) is 4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine is COc1ccc(-n2cnnc2CC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The InChIKey is CPEDAEXSGIZFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-20-14-4-2-13(3-5-14)19-11-17-18-15(19)10-12-6-8-16-9-7-12/h2-5,11-12,16H,6-10H2,1H3.
What are the key properties of 4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine?
4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine has a molecular weight of 272.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperidine is sourced from PubChem (CID 56755446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).