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

C20H22N4 — CID 21219160

IUPAC1-benzyl-4-(4-phenyltriazol-1-yl)piperidine
SMILESc1ccc(CN2CCC(n3cc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-17(8-4-1)15-23-13-11-19(12-14-23)24-16-20(21-22-24)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2
InChIKeyBVDQINYYEZPHTR-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.78
Rot. Bonds4

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

1-benzyl-4-(4-phenyltriazol-1-yl)piperidine (PubChem CID 21219160) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-benzyl-4-(4-phenyltriazol-1-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(4-phenyltriazol-1-yl)piperidine
PubChem CID21219160
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-benzyl-4-(4-phenyltriazol-1-yl)piperidine
SMILESc1ccc(CN2CCC(n3cc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-17(8-4-1)15-23-13-11-19(12-14-23)24-16-20(21-22-24)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2
InChIKeyBVDQINYYEZPHTR-UHFFFAOYSA-N
XLogP3.78
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.78
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-phenyltriazol-1-yl)piperidine?
The IUPAC name of 1-benzyl-4-(4-phenyltriazol-1-yl)piperidine (CID 21219160) is 1-benzyl-4-(4-phenyltriazol-1-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(4-phenyltriazol-1-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(4-phenyltriazol-1-yl)piperidine is c1ccc(CN2CCC(n3cc(-c4ccccc4)nn3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(4-phenyltriazol-1-yl)piperidine?
The InChIKey is BVDQINYYEZPHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-7-17(8-4-1)15-23-13-11-19(12-14-23)24-16-20(21-22-24)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2.
What are the key properties of 1-benzyl-4-(4-phenyltriazol-1-yl)piperidine?
1-benzyl-4-(4-phenyltriazol-1-yl)piperidine has a molecular weight of 318.42 g/mol, XLogP of 3.78, 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-phenyltriazol-1-yl)piperidine is sourced from PubChem (CID 21219160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).