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

C18H21ClN2 — CID 792741

IUPAC1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H21ClN2/c1-15-6-2-5-9-18(15)21-12-10-20(11-13-21)14-16-7-3-4-8-17(16)19/h2-9H,10-14H2,1H3
InChIKeyASGMIDJPEYJPBI-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.97
Rot. Bonds3

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

1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine (PubChem CID 792741) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine
PubChem CID792741
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H21ClN2/c1-15-6-2-5-9-18(15)21-12-10-20(11-13-21)14-16-7-3-4-8-17(16)19/h2-9H,10-14H2,1H3
InChIKeyASGMIDJPEYJPBI-UHFFFAOYSA-N
XLogP3.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine (CID 792741) is 1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine is Cc1ccccc1N1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine?
The InChIKey is ASGMIDJPEYJPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-15-6-2-5-9-18(15)21-12-10-20(11-13-21)14-16-7-3-4-8-17(16)19/h2-9H,10-14H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine?
1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine has a molecular weight of 300.83 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)piperazine is sourced from PubChem (CID 792741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).