1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine

C17H19ClN2 — CID 66735743

IUPAC1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine
SMILESCc1ccccc1C1CNCCN1c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2/c1-13-4-2-3-5-16(13)17-12-19-10-11-20(17)15-8-6-14(18)7-9-15/h2-9,17,19H,10-12H2,1H3
InChIKeyCPQMPEWHZOQYCQ-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.80
Rot. Bonds2

About 1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine

1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine (PubChem CID 66735743) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine
PubChem CID66735743
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine
SMILESCc1ccccc1C1CNCCN1c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2/c1-13-4-2-3-5-16(13)17-12-19-10-11-20(17)15-8-6-14(18)7-9-15/h2-9,17,19H,10-12H2,1H3
InChIKeyCPQMPEWHZOQYCQ-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine (CID 66735743) is 1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine is Cc1ccccc1C1CNCCN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine?
The InChIKey is CPQMPEWHZOQYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-13-4-2-3-5-16(13)17-12-19-10-11-20(17)15-8-6-14(18)7-9-15/h2-9,17,19H,10-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine?
1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine has a molecular weight of 286.81 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine is sourced from PubChem (CID 66735743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).