1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine

C14H18ClF3N2 — CID 22345177

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18ClF3N2/c1-2-5-19-6-8-20(9-7-19)11-3-4-13(15)12(10-11)14(16,17)18/h3-4,10H,2,5-9H2,1H3
InChIKeyCHVAEOAQPLYYIL-UHFFFAOYSA-N
MW306.76 g/mol
LogP3.89
Rot. Bonds3

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine

1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine (PubChem CID 22345177) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine
PubChem CID22345177
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18ClF3N2/c1-2-5-19-6-8-20(9-7-19)11-3-4-13(15)12(10-11)14(16,17)18/h3-4,10H,2,5-9H2,1H3
InChIKeyCHVAEOAQPLYYIL-UHFFFAOYSA-N
XLogP3.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-4-(3-chlorophenyl)piperazine
CID 413525
1-(4-Chlorophenyl)-4-hexylpiperazine
CID 3738741
1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine
CID 3299322
1-Butyl-4-(2-chloro-3-ethylphenyl)piperazine
CID 155535272
1-(2-Chlorobenzyl)-4-phenylpiperazine
CID 765042
1-(4-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 2845455
1-Benzyl-4-(4-chlorophenyl)piperazine
CID 233199
1-(4-Chlorophenyl)-4-(2-methylbenzyl)piperazine
CID 750762
1-(2-Chlorobenzyl)-4-(2-chlorophenyl)piperazine
CID 764219
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-(1-piperidinyl)acetamide
CID 2200094
1-(4-Chlorophenyl)-4-(4-fluorobenzyl)piperazine
CID 2838239
1-(4-Chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine
CID 57401819

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine (CID 22345177) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine is CCCN1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine?
The InChIKey is CHVAEOAQPLYYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c1-2-5-19-6-8-20(9-7-19)11-3-4-13(15)12(10-11)14(16,17)18/h3-4,10H,2,5-9H2,1H3.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine?
1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine has a molecular weight of 306.76 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-propylpiperazine is sourced from PubChem (CID 22345177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).