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

C19H23ClN2O — CID 4738663

IUPAC1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(Cl)cc2)N2CCNCC2)c(C)c1
InChIInChI=1S/C19H23ClN2O/c1-14-13-17(23-2)7-8-18(14)19(22-11-9-21-10-12-22)15-3-5-16(20)6-4-15/h3-8,13,19,21H,9-12H2,1-2H3
InChIKeyOKJAAIQOPKXFQO-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.65
Rot. Bonds4

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

1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine (PubChem CID 4738663) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine
PubChem CID4738663
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(Cl)cc2)N2CCNCC2)c(C)c1
InChIInChI=1S/C19H23ClN2O/c1-14-13-17(23-2)7-8-18(14)19(22-11-9-21-10-12-22)15-3-5-16(20)6-4-15/h3-8,13,19,21H,9-12H2,1-2H3
InChIKeyOKJAAIQOPKXFQO-UHFFFAOYSA-N
XLogP3.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3758150
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171282621
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282622
1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine
CID 4312226
1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3779620
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine
CID 171295226
1-[(R)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286633
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
1-[(1R)-1-(4-methoxy-2-methylphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295252
1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287396
1-[(R)-(2,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171294878

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine (CID 4738663) is 1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine is COc1ccc(C(c2ccc(Cl)cc2)N2CCNCC2)c(C)c1.
What is the InChIKey of 1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine?
The InChIKey is OKJAAIQOPKXFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-14-13-17(23-2)7-8-18(14)19(22-11-9-21-10-12-22)15-3-5-16(20)6-4-15/h3-8,13,19,21H,9-12H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine?
1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine has a molecular weight of 330.86 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 4738663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).