1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine

C21H24N4 — CID 21219156

IUPAC1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine
SMILESCc1nnn(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1
InChIInChI=1S/C21H24N4/c1-17-21(19-10-6-3-7-11-19)25(23-22-17)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3
InChIKeyXWXQDIUFNJEKBY-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.09
Rot. Bonds4

About 1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine

1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine (PubChem CID 21219156) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine
PubChem CID21219156
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine
SMILESCc1nnn(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1
InChIInChI=1S/C21H24N4/c1-17-21(19-10-6-3-7-11-19)25(23-22-17)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3
InChIKeyXWXQDIUFNJEKBY-UHFFFAOYSA-N
XLogP4.09
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.09
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-methyl-5-phenyltriazol-1-yl)piperidine?
The IUPAC name of 1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine (CID 21219156) is 1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine is Cc1nnn(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1.
What is the InChIKey of 1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine?
The InChIKey is XWXQDIUFNJEKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-17-21(19-10-6-3-7-11-19)25(23-22-17)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3.
What are the key properties of 1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine?
1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine has a molecular weight of 332.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-methyl-5-phenyltriazol-1-yl)piperidine is sourced from PubChem (CID 21219156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).