1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine

C17H18Cl2N2 — CID 764219

IUPAC1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
SMILESClc1ccccc1CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H18Cl2N2/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)17-8-4-3-7-16(17)19/h1-8H,9-13H2
InChIKeyUSZVSAQZQNSMLG-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.32
Rot. Bonds3

About 1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine

1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine (PubChem CID 764219) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
PubChem CID764219
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
SMILESClc1ccccc1CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H18Cl2N2/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)17-8-4-3-7-16(17)19/h1-8H,9-13H2
InChIKeyUSZVSAQZQNSMLG-UHFFFAOYSA-N
XLogP4.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine (CID 764219) is 1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine is Clc1ccccc1CN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine?
The InChIKey is USZVSAQZQNSMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)17-8-4-3-7-16(17)19/h1-8H,9-13H2.
What are the key properties of 1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine?
1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine has a molecular weight of 321.25 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 764219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).