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

C24H25ClN2O — CID 71602690

IUPAC1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H25ClN2O/c1-28-24-9-5-4-8-23(24)27-16-14-26(15-17-27)18-20-6-2-3-7-22(20)19-10-12-21(25)13-11-19/h2-13H,14-18H2,1H3
InChIKeyGYGVBIKGQIFGLL-UHFFFAOYSA-N
MW392.93 g/mol
LogP5.34
Rot. Bonds5

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

1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 71602690) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID71602690
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC Name1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H25ClN2O/c1-28-24-9-5-4-8-23(24)27-16-14-26(15-17-27)18-20-6-2-3-7-22(20)19-10-12-21(25)13-11-19/h2-13H,14-18H2,1H3
InChIKeyGYGVBIKGQIFGLL-UHFFFAOYSA-N
XLogP5.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine (CID 71602690) is 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is GYGVBIKGQIFGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O/c1-28-24-9-5-4-8-23(24)27-16-14-26(15-17-27)18-20-6-2-3-7-22(20)19-10-12-21(25)13-11-19/h2-13H,14-18H2,1H3.
What are the key properties of 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 392.93 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 71602690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).