1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane

C21H26N4 — CID 162015011

IUPAC1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane
SMILESC.c1ccc(CN2CCC(c3ccccc3)(c3ncn[nH]3)CC2)cc1
InChIInChI=1S/C20H22N4.CH4/c1-3-7-17(8-4-1)15-24-13-11-20(12-14-24,19-21-16-22-23-19)18-9-5-2-6-10-18;/h1-10,16H,11-15H2,(H,21,22,23);1H4
InChIKeyYTZJLUSGQYYRHA-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.02
Rot. Bonds4

About 1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane

1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane (PubChem CID 162015011) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane.

Molecular Properties

Compound Name1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane
PubChem CID162015011
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane
SMILESC.c1ccc(CN2CCC(c3ccccc3)(c3ncn[nH]3)CC2)cc1
InChIInChI=1S/C20H22N4.CH4/c1-3-7-17(8-4-1)15-24-13-11-20(12-14-24,19-21-16-22-23-19)18-9-5-2-6-10-18;/h1-10,16H,11-15H2,(H,21,22,23);1H4
InChIKeyYTZJLUSGQYYRHA-UHFFFAOYSA-N
XLogP4.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2,2-diphenyl-4-[4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide;methane
CID 160557424
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 141031204
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
1-benzyl-4-isocyano-4-phenylpiperidine
CID 20812471
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 91830071
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide
CID 59869115

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane?
The IUPAC name of 1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane (CID 162015011) is 1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane.
What is the SMILES notation for 1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane?
The canonical SMILES for 1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane is C.c1ccc(CN2CCC(c3ccccc3)(c3ncn[nH]3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane?
The InChIKey is YTZJLUSGQYYRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4.CH4/c1-3-7-17(8-4-1)15-24-13-11-20(12-14-24,19-21-16-22-23-19)18-9-5-2-6-10-18;/h1-10,16H,11-15H2,(H,21,22,23);1H4.
What are the key properties of 1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane?
1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane has a molecular weight of 334.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane is sourced from PubChem (CID 162015011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).