1-benzyl-4-(4-benzyltriazol-1-yl)piperidine

C21H24N4 — CID 155510683

IUPAC1-benzyl-4-(4-benzyltriazol-1-yl)piperidine
SMILESc1ccc(Cc2cn(C3CCN(Cc4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C21H24N4/c1-3-7-18(8-4-1)15-20-17-25(23-22-20)21-11-13-24(14-12-21)16-19-9-5-2-6-10-19/h1-10,17,21H,11-16H2
InChIKeySACMWQXEALUQNE-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.71
Rot. Bonds5

About 1-benzyl-4-(4-benzyltriazol-1-yl)piperidine

1-benzyl-4-(4-benzyltriazol-1-yl)piperidine (PubChem CID 155510683) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-benzyl-4-(4-benzyltriazol-1-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(4-benzyltriazol-1-yl)piperidine
PubChem CID155510683
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-benzyl-4-(4-benzyltriazol-1-yl)piperidine
SMILESc1ccc(Cc2cn(C3CCN(Cc4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C21H24N4/c1-3-7-18(8-4-1)15-20-17-25(23-22-20)21-11-13-24(14-12-21)16-19-9-5-2-6-10-19/h1-10,17,21H,11-16H2
InChIKeySACMWQXEALUQNE-UHFFFAOYSA-N
XLogP3.71
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-benzyltriazol-1-yl)piperidine?
The IUPAC name of 1-benzyl-4-(4-benzyltriazol-1-yl)piperidine (CID 155510683) is 1-benzyl-4-(4-benzyltriazol-1-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(4-benzyltriazol-1-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(4-benzyltriazol-1-yl)piperidine is c1ccc(Cc2cn(C3CCN(Cc4ccccc4)CC3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-(4-benzyltriazol-1-yl)piperidine?
The InChIKey is SACMWQXEALUQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-3-7-18(8-4-1)15-20-17-25(23-22-20)21-11-13-24(14-12-21)16-19-9-5-2-6-10-19/h1-10,17,21H,11-16H2.
What are the key properties of 1-benzyl-4-(4-benzyltriazol-1-yl)piperidine?
1-benzyl-4-(4-benzyltriazol-1-yl)piperidine has a molecular weight of 332.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-benzyltriazol-1-yl)piperidine is sourced from PubChem (CID 155510683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).