1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine

C12H14ClF3N2 — CID 167531096

IUPAC1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(Cl)cc1CN1CCNCC1
InChIInChI=1S/C12H14ClF3N2/c13-10-1-2-11(12(14,15)16)9(7-10)8-18-5-3-17-4-6-18/h1-2,7,17H,3-6,8H2
InChIKeyLRKXEVWRMYLEQV-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.76
Rot. Bonds2

About 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine

1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 167531096) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID167531096
Molecular FormulaC12H14ClF3N2
Molecular Weight278.70 g/mol
Exact Mass278.08
IUPAC Name1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(Cl)cc1CN1CCNCC1
InChIInChI=1S/C12H14ClF3N2/c13-10-1-2-11(12(14,15)16)9(7-10)8-18-5-3-17-4-6-18/h1-2,7,17H,3-6,8H2
InChIKeyLRKXEVWRMYLEQV-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidine;ethane
CID 145319280
1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine
CID 117406204
4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)benzene-1,2-diol
CID 117442103
1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 82622598
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558
5-chloro-2-(piperazin-1-ylmethyl)benzoic acid
CID 117220906
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 43162436
1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine
CID 117389294
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834329
2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl chloride
CID 135321092
1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 142430037

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine (CID 167531096) is 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1ccc(Cl)cc1CN1CCNCC1.
What is the InChIKey of 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is LRKXEVWRMYLEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c13-10-1-2-11(12(14,15)16)9(7-10)8-18-5-3-17-4-6-18/h1-2,7,17H,3-6,8H2.
What are the key properties of 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine?
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 278.70 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 167531096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).