2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine

C13H17F3N2 — CID 50999929

IUPAC2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC1CNCCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2/c1-10-8-17-6-7-18(10)9-11-2-4-12(5-3-11)13(14,15)16/h2-5,10,17H,6-9H2,1H3
InChIKeyOJRFXWJKJZYNFF-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.50
Rot. Bonds2

About 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine

2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 50999929) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID50999929
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC1CNCCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2/c1-10-8-17-6-7-18(10)9-11-2-4-12(5-3-11)13(14,15)16/h2-5,10,17H,6-9H2,1H3
InChIKeyOJRFXWJKJZYNFF-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 95656913
(2S)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 120839203
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride
CID 120839392
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
(2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 168510113
3-[(2-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline
CID 23155130
4-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 135156370
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909
(2R)-1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-methylpiperazine
CID 95212131
4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
CID 82713644
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 50999929) is 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine is CC1CNCCN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is OJRFXWJKJZYNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-10-8-17-6-7-18(10)9-11-2-4-12(5-3-11)13(14,15)16/h2-5,10,17H,6-9H2,1H3.
What are the key properties of 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 258.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 50999929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).