1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine

C19H23ClN2 — CID 174747780

IUPAC1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine
SMILESCc1ccc(C(Cc2ccc(Cl)cc2)N2CCNCC2)cc1
InChIInChI=1S/C19H23ClN2/c1-15-2-6-17(7-3-15)19(22-12-10-21-11-13-22)14-16-4-8-18(20)9-5-16/h2-9,19,21H,10-14H2,1H3
InChIKeyCKOWOMBKXRDUBQ-UHFFFAOYSA-N
MW314.86 g/mol
LogP3.84
Rot. Bonds4

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

1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine (PubChem CID 174747780) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine
PubChem CID174747780
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine
SMILESCc1ccc(C(Cc2ccc(Cl)cc2)N2CCNCC2)cc1
InChIInChI=1S/C19H23ClN2/c1-15-2-6-17(7-3-15)19(22-12-10-21-11-13-22)14-16-4-8-18(20)9-5-16/h2-9,19,21H,10-14H2,1H3
InChIKeyCKOWOMBKXRDUBQ-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
CID 131476591
2-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 82079666
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine
CID 171294206
1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine
CID 171294160
1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171294207
1-[(1S)-4,4,4-trifluoro-1-(4-methylphenyl)butyl]piperazine;dihydrochloride
CID 171303015
1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol
CID 174310926
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine
CID 171182419
1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine
CID 4312226

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine (CID 174747780) is 1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine is Cc1ccc(C(Cc2ccc(Cl)cc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine?
The InChIKey is CKOWOMBKXRDUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c1-15-2-6-17(7-3-15)19(22-12-10-21-11-13-22)14-16-4-8-18(20)9-5-16/h2-9,19,21H,10-14H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine?
1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine has a molecular weight of 314.86 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 174747780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).