1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine

C18H21ClN2 — CID 57404058

IUPAC1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2/c1-20-10-12-21(13-11-20)14-16-4-2-3-5-18(16)15-6-8-17(19)9-7-15/h2-9H,10-14H2,1H3
InChIKeyWIGNRMFGNORHDZ-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.75
Rot. Bonds3

About 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine

1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine (PubChem CID 57404058) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine
PubChem CID57404058
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2/c1-20-10-12-21(13-11-20)14-16-4-2-3-5-18(16)15-6-8-17(19)9-7-15/h2-9H,10-14H2,1H3
InChIKeyWIGNRMFGNORHDZ-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine (CID 57404058) is 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine is CN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine?
The InChIKey is WIGNRMFGNORHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-20-10-12-21(13-11-20)14-16-4-2-3-5-18(16)15-6-8-17(19)9-7-15/h2-9H,10-14H2,1H3.
What are the key properties of 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine?
1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine has a molecular weight of 300.83 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 57404058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).