1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine

C24H25ClN2O — CID 3719125

IUPAC1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine
SMILESCOc1ccc(Cl)cc1C(c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C24H25ClN2O/c1-28-23-12-11-21(25)17-22(23)24(27-15-13-26-14-16-27)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12,17,24,26H,13-16H2,1H3
InChIKeyYIOWENLZULABRZ-UHFFFAOYSA-N
MW392.93 g/mol
LogP5.01
Rot. Bonds5

About 1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine

1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine (PubChem CID 3719125) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine
PubChem CID3719125
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC Name1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine
SMILESCOc1ccc(Cl)cc1C(c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C24H25ClN2O/c1-28-23-12-11-21(25)17-22(23)24(27-15-13-26-14-16-27)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12,17,24,26H,13-16H2,1H3
InChIKeyYIOWENLZULABRZ-UHFFFAOYSA-N
XLogP5.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3779620
1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3758150
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399
1-[(5-chloro-2-methoxyphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 5134406
1-[(5-chloro-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3847028
1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine
CID 3748492
1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3740741
1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine
CID 4738696
1-[(5-chloro-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3374485
1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine
CID 5125552
1-[phenyl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3715051
1-[(1S)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171177902

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine (CID 3719125) is 1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine is COc1ccc(Cl)cc1C(c1ccc(-c2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine?
The InChIKey is YIOWENLZULABRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O/c1-28-23-12-11-21(25)17-22(23)24(27-15-13-26-14-16-27)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12,17,24,26H,13-16H2,1H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine?
1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine has a molecular weight of 392.93 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine is sourced from PubChem (CID 3719125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).