1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine

C19H23ClN2 — CID 4312226

IUPAC1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C)c(C(c2ccc(Cl)cc2)N2CCNCC2)c1
InChIInChI=1S/C19H23ClN2/c1-14-3-4-15(2)18(13-14)19(22-11-9-21-10-12-22)16-5-7-17(20)8-6-16/h3-8,13,19,21H,9-12H2,1-2H3
InChIKeyUOIVWMGSOWKULG-UHFFFAOYSA-N
MW314.86 g/mol
LogP3.95
Rot. Bonds3

About 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine

1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine (PubChem CID 4312226) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine
PubChem CID4312226
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C)c(C(c2ccc(Cl)cc2)N2CCNCC2)c1
InChIInChI=1S/C19H23ClN2/c1-14-3-4-15(2)18(13-14)19(22-11-9-21-10-12-22)16-5-7-17(20)8-6-16/h3-8,13,19,21H,9-12H2,1-2H3
InChIKeyUOIVWMGSOWKULG-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]-1,4-diazepane
CID 3779720
1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine
CID 4738696
1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine
CID 4738663
1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine
CID 3304093
1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine
CID 5002630
1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 5211838
1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3779620
1-[(2,5-dimethylphenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane
CID 3346383
1-[(2,4-difluorophenyl)-(2,5-dimethylphenyl)methyl]-1,4-diazepane
CID 4637236
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine
CID 4738612
1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 5032269

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine (CID 4312226) is 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine is Cc1ccc(C)c(C(c2ccc(Cl)cc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine?
The InChIKey is UOIVWMGSOWKULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c1-14-3-4-15(2)18(13-14)19(22-11-9-21-10-12-22)16-5-7-17(20)8-6-16/h3-8,13,19,21H,9-12H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine?
1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine has a molecular weight of 314.86 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 4312226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).