1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine

C19H17ClF6N2 — CID 4258911

IUPAC1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1cc(C(c2ccccc2C(F)(F)F)N2CCNCC2)ccc1Cl
InChIInChI=1S/C19H17ClF6N2/c20-16-6-5-12(11-15(16)19(24,25)26)17(28-9-7-27-8-10-28)13-3-1-2-4-14(13)18(21,22)23/h1-6,11,17,27H,7-10H2
InChIKeyAWOMUCHZXFNDQT-UHFFFAOYSA-N
MW422.80 g/mol
LogP5.37
Rot. Bonds3

About 1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine

1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 4258911) has the molecular formula C19H17ClF6N2 and a molecular weight of 422.80 g/mol. Its IUPAC name is 1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID4258911
Molecular FormulaC19H17ClF6N2
Molecular Weight422.80 g/mol
Exact Mass422.10
IUPAC Name1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1cc(C(c2ccccc2C(F)(F)F)N2CCNCC2)ccc1Cl
InChIInChI=1S/C19H17ClF6N2/c20-16-6-5-12(11-15(16)19(24,25)26)17(28-9-7-27-8-10-28)13-3-1-2-4-14(13)18(21,22)23/h1-6,11,17,27H,7-10H2
InChIKeyAWOMUCHZXFNDQT-UHFFFAOYSA-N
XLogP5.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.80
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine 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-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 7047794
1-[(3-bromophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazine
CID 3830015
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3508845
1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 3275679
1-[(2,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 4584564
1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 4305876
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 4295254
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine
CID 171165458
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165445
1-[[4-chloro-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]-1,4-diazepane
CID 3747957
6-[1,4-diazepan-1-yl-[2-(trifluoromethyl)phenyl]methyl]isoquinoline
CID 3766799
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 4213882

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine (CID 4258911) is 1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1cc(C(c2ccccc2C(F)(F)F)N2CCNCC2)ccc1Cl.
What is the InChIKey of 1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is AWOMUCHZXFNDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF6N2/c20-16-6-5-12(11-15(16)19(24,25)26)17(28-9-7-27-8-10-28)13-3-1-2-4-14(13)18(21,22)23/h1-6,11,17,27H,7-10H2.
What are the key properties of 1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine?
1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 422.80 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 4258911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).