(2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine

C13H17F3N2 — CID 70804072

IUPAC(2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
SMILESCC1CN(c2ccc(C(F)(F)F)cc2)[C@@H](C)CN1
InChIInChI=1S/C13H17F3N2/c1-9-8-18(10(2)7-17-9)12-5-3-11(4-6-12)13(14,15)16/h3-6,9-10,17H,7-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyFYDUFKKWJFNDSY-AXDSSHIGSA-N
MW258.29 g/mol
LogP2.89
Rot. Bonds1

About (2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine

(2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 70804072) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is (2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name(2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID70804072
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name(2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
SMILESCC1CN(c2ccc(C(F)(F)F)cc2)[C@@H](C)CN1
InChIInChI=1S/C13H17F3N2/c1-9-8-18(10(2)7-17-9)12-5-3-11(4-6-12)13(14,15)16/h3-6,9-10,17H,7-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyFYDUFKKWJFNDSY-AXDSSHIGSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
1-(2-Fluorophenyl)piperazine
CID 70529
1-(3-Fluorophenyl)piperazine
CID 77418
N,N'-Di-o-tolylethylenediamine
CID 66759
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
LY-165163
CID 121930
N-Phenyl-1-(phenylmethyl)-4-piperidinamine
CID 70865
1-(4-Fluorophenyl)piperazine
CID 75260
N-(2-Cyanophenyl)piperazine
CID 2735875
TFMPP hydrochloride
CID 3084246
Despropionyl meta-fluorofentanyl
CID 23741730
N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of (2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine (CID 70804072) is (2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for (2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for (2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine is CC1CN(c2ccc(C(F)(F)F)cc2)[C@@H](C)CN1.
What is the InChIKey of (2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is FYDUFKKWJFNDSY-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-9-8-18(10(2)7-17-9)12-5-3-11(4-6-12)13(14,15)16/h3-6,9-10,17H,7-8H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine?
(2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 258.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 70804072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).