1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine

C11H12ClF3N2 — CID 174396621

IUPAC1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine
SMILESFC(F)(F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C11H12ClF3N2/c12-9-2-1-3-10(8-9)16-4-6-17(7-5-16)11(13,14)15/h1-3,8H,4-7H2
InChIKeyGIDBPUZTVZVDJK-UHFFFAOYSA-N
MW264.68 g/mol
LogP2.98
Rot. Bonds1

About 1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine

1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine (PubChem CID 174396621) has the molecular formula C11H12ClF3N2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine
PubChem CID174396621
Molecular FormulaC11H12ClF3N2
Molecular Weight264.68 g/mol
Exact Mass264.06
IUPAC Name1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine
SMILESFC(F)(F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C11H12ClF3N2/c12-9-2-1-3-10(8-9)16-4-6-17(7-5-16)11(13,14)15/h1-3,8H,4-7H2
InChIKeyGIDBPUZTVZVDJK-UHFFFAOYSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161461
1-(3-chlorophenyl)azonane
CID 145391535
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 24693453
2,2,2-trichloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 4196573
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2462968
(2-chloro-5-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 71822560
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine (CID 174396621) is 1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine is FC(F)(F)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine?
The InChIKey is GIDBPUZTVZVDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2/c12-9-2-1-3-10(8-9)16-4-6-17(7-5-16)11(13,14)15/h1-3,8H,4-7H2.
What are the key properties of 1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine?
1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine has a molecular weight of 264.68 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 174396621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).