1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine

C14H18ClF3N2 — CID 64926462

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(c2ccc(Cl)cc2C(F)(F)F)CCN1
InChIInChI=1S/C14H18ClF3N2/c1-3-13(2)9-20(7-6-19-13)12-5-4-10(15)8-11(12)14(16,17)18/h4-5,8,19H,3,6-7,9H2,1-2H3
InChIKeyFNEGNDQNPMTPMV-UHFFFAOYSA-N
MW306.76 g/mol
LogP3.94
Rot. Bonds2

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine (PubChem CID 64926462) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine
PubChem CID64926462
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(c2ccc(Cl)cc2C(F)(F)F)CCN1
InChIInChI=1S/C14H18ClF3N2/c1-3-13(2)9-20(7-6-19-13)12-5-4-10(15)8-11(12)14(16,17)18/h4-5,8,19H,3,6-7,9H2,1-2H3
InChIKeyFNEGNDQNPMTPMV-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine
CID 64924867
3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine
CID 64926311
1-(2-bromo-5-chlorophenyl)-3-ethyl-3-methylpiperazine
CID 81272053
1-(2,5-dichlorophenyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64945535
3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine
CID 64924410
1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methylpiperazine
CID 64924108
1-(3-chloro-2-methylphenyl)-3-ethyl-3-methylpiperazine
CID 64925265
1-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethylsulfonylpiperazine
CID 113080128
1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine
CID 82819376
1-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethylpiperazine
CID 64939190
5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine
CID 64935551
1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine
CID 64926797

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine (CID 64926462) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine is CCC1(C)CN(c2ccc(Cl)cc2C(F)(F)F)CCN1.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine?
The InChIKey is FNEGNDQNPMTPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c1-3-13(2)9-20(7-6-19-13)12-5-4-10(15)8-11(12)14(16,17)18/h4-5,8,19H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine?
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine has a molecular weight of 306.76 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine is sourced from PubChem (CID 64926462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).