(2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride

C13H17Cl2F3N2 — CID 120839392

IUPAC(2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1Cc1cc(Cl)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H16ClF3N2.ClH/c1-9-7-18-2-3-19(9)8-10-4-11(13(15,16)17)6-12(14)5-10;/h4-6,9,18H,2-3,7-8H2,1H3;1H/t9-;/m1./s1
InChIKeyTYGXKVMEUHLPEK-SBSPUUFOSA-N
MW329.19 g/mol
LogP3.57
Rot. Bonds2

About (2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride

(2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride (PubChem CID 120839392) has the molecular formula C13H17Cl2F3N2 and a molecular weight of 329.19 g/mol. Its IUPAC name is (2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride
PubChem CID120839392
Molecular FormulaC13H17Cl2F3N2
Molecular Weight329.19 g/mol
Exact Mass328.07
IUPAC Name(2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1Cc1cc(Cl)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H16ClF3N2.ClH/c1-9-7-18-2-3-19(9)8-10-4-11(13(15,16)17)6-12(14)5-10;/h4-6,9,18H,2-3,7-8H2,1H3;1H/t9-;/m1./s1
InChIKeyTYGXKVMEUHLPEK-SBSPUUFOSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 120839203
(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 95656913
3-[(2-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline
CID 23155130
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 50999929
1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846483
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonyl-2-methylpiperazine
CID 120708063
(2S)-1-[(2-chloro-4-pyridinyl)methyl]-2-methylpiperazine
CID 82705581
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
4-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 135156370
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of (2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride (CID 120839392) is (2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride is C[C@@H]1CNCCN1Cc1cc(Cl)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of (2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride?
The InChIKey is TYGXKVMEUHLPEK-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H16ClF3N2.ClH/c1-9-7-18-2-3-19(9)8-10-4-11(13(15,16)17)6-12(14)5-10;/h4-6,9,18H,2-3,7-8H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride?
(2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride has a molecular weight of 329.19 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120839392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).