1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine

C20H22N4 — CID 141321764

IUPAC1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
SMILESc1ccc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-16(8-4-1)15-24-13-11-18(12-14-24)20-21-19(22-23-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,22,23)
InChIKeyHCRFCZAPWFJYBB-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.85
Rot. Bonds4

About 1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine

1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 141321764) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
PubChem CID141321764
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
SMILESc1ccc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-16(8-4-1)15-24-13-11-18(12-14-24)20-21-19(22-23-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,22,23)
InChIKeyHCRFCZAPWFJYBB-UHFFFAOYSA-N
XLogP3.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine
CID 130454475
3-[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 110244523
4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 16669618
1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 154785087
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 53192308
2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrimidine
CID 67360221
5-phenyl-6-[4-[[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 25187018
5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine
CID 67360741
3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
CID 25175139
5-phenyl-6-[4-[[4-(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 25188141
2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanoic acid
CID 119958609

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine (CID 141321764) is 1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine is c1ccc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is HCRFCZAPWFJYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-7-16(8-4-1)15-24-13-11-18(12-14-24)20-21-19(22-23-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,22,23).
What are the key properties of 1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 318.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 141321764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).