1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine

C19H20ClN5 — CID 46228564

IUPAC1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine
SMILESClc1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C19H20ClN5/c20-16-6-8-18(9-7-16)24-12-10-23(11-13-24)14-17-15-25(22-21-17)19-4-2-1-3-5-19/h1-9,15H,10-14H2
InChIKeyQZVWTKAQWUQNHG-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.24
Rot. Bonds4

About 1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine

1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine (PubChem CID 46228564) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine
PubChem CID46228564
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine
SMILESClc1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C19H20ClN5/c20-16-6-8-18(9-7-16)24-12-10-23(11-13-24)14-17-15-25(22-21-17)19-4-2-1-3-5-19/h1-9,15H,10-14H2
InChIKeyQZVWTKAQWUQNHG-UHFFFAOYSA-N
XLogP3.24
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine (CID 46228564) is 1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine is Clc1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine?
The InChIKey is QZVWTKAQWUQNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c20-16-6-8-18(9-7-16)24-12-10-23(11-13-24)14-17-15-25(22-21-17)19-4-2-1-3-5-19/h1-9,15H,10-14H2.
What are the key properties of 1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine?
1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine has a molecular weight of 353.86 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 46228564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).