1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine

C18H17Cl2F3N2 — CID 4305876

IUPAC1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccccc1C(c1cccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C18H17Cl2F3N2/c19-15-7-3-5-13(16(15)20)17(25-10-8-24-9-11-25)12-4-1-2-6-14(12)18(21,22)23/h1-7,17,24H,8-11H2
InChIKeyLJXDJXMSIMZRGM-UHFFFAOYSA-N
MW389.25 g/mol
LogP5.01
Rot. Bonds3

About 1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine

1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 4305876) has the molecular formula C18H17Cl2F3N2 and a molecular weight of 389.25 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID4305876
Molecular FormulaC18H17Cl2F3N2
Molecular Weight389.25 g/mol
Exact Mass388.07
IUPAC Name1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccccc1C(c1cccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C18H17Cl2F3N2/c19-15-7-3-5-13(16(15)20)17(25-10-8-24-9-11-25)12-4-1-2-6-14(12)18(21,22)23/h1-7,17,24H,8-11H2
InChIKeyLJXDJXMSIMZRGM-UHFFFAOYSA-N
XLogP5.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.25
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 4258911
1-[(2,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 4584564
1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 7047794
1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 3541146
1-[(S)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171292676
1-[(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171180467
1-[(2-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3826485
1-[(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 4522489
1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176421
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171280041
1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine
CID 4267301
1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171291204

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine (CID 4305876) is 1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1ccccc1C(c1cccc(Cl)c1Cl)N1CCNCC1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is LJXDJXMSIMZRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F3N2/c19-15-7-3-5-13(16(15)20)17(25-10-8-24-9-11-25)12-4-1-2-6-14(12)18(21,22)23/h1-7,17,24H,8-11H2.
What are the key properties of 1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 389.25 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 4305876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).