1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine

C19H23ClN2 — CID 4738612

IUPAC1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C(c2ccccc2Cl)N2CCNCC2)cc1C
InChIInChI=1S/C19H23ClN2/c1-14-7-8-16(13-15(14)2)19(22-11-9-21-10-12-22)17-5-3-4-6-18(17)20/h3-8,13,19,21H,9-12H2,1-2H3
InChIKeyIWSYYWFZXFGQMI-UHFFFAOYSA-N
MW314.86 g/mol
LogP3.95
Rot. Bonds3

About 1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine

1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine (PubChem CID 4738612) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine
PubChem CID4738612
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C(c2ccccc2Cl)N2CCNCC2)cc1C
InChIInChI=1S/C19H23ClN2/c1-14-7-8-16(13-15(14)2)19(22-11-9-21-10-12-22)17-5-3-4-6-18(17)20/h3-8,13,19,21H,9-12H2,1-2H3
InChIKeyIWSYYWFZXFGQMI-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-[(2-chlorophenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3259309
1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-1,4-diazepane
CID 3736535
1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine
CID 4738696
1-[(3,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]-1,4-diazepane
CID 3779720
1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine
CID 4738644
4-chloro-5-[(3,4-dimethylphenyl)-piperazin-1-ylmethyl]-1-methyl-2-phenylpyrazol-3-one
CID 91309017
1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 4258911
1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine
CID 45277417
1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine
CID 4312226
1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3779620
1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3260597
1-[(3,4-dichlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3504603

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine (CID 4738612) is 1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine is Cc1ccc(C(c2ccccc2Cl)N2CCNCC2)cc1C.
What is the InChIKey of 1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine?
The InChIKey is IWSYYWFZXFGQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c1-14-7-8-16(13-15(14)2)19(22-11-9-21-10-12-22)17-5-3-4-6-18(17)20/h3-8,13,19,21H,9-12H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine?
1-[(2-chlorophenyl)-(3,4-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-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 4738612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).