(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride

C14H20ClF3N2 — CID 162420387

IUPAC(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
SMILESC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)CN1.Cl
InChIInChI=1S/C14H19F3N2.ClH/c1-10-8-19(11(2)7-18-10)9-12-4-3-5-13(6-12)14(15,16)17;/h3-6,10-11,18H,7-9H2,1-2H3;1H/t10-,11+;/m1./s1
InChIKeyUYONGEPJQOCUTM-DHXVBOOMSA-N
MW308.78 g/mol
LogP3.31
Rot. Bonds2

About (2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride

(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride (PubChem CID 162420387) has the molecular formula C14H20ClF3N2 and a molecular weight of 308.78 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
PubChem CID162420387
Molecular FormulaC14H20ClF3N2
Molecular Weight308.78 g/mol
Exact Mass308.13
IUPAC Name(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
SMILESC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)CN1.Cl
InChIInChI=1S/C14H19F3N2.ClH/c1-10-8-19(11(2)7-18-10)9-12-4-3-5-13(6-12)14(15,16)17;/h3-6,10-11,18H,7-9H2,1-2H3;1H/t10-,11+;/m1./s1
InChIKeyUYONGEPJQOCUTM-DHXVBOOMSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120905856
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906434
2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride
CID 120906398
2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 64978933
4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 138739814
2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120905953
2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 64832908
1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906190
(2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine
CID 177205527
1-[[3-(trifluoromethyl)phenyl]methyl]azetidine-3-thiol
CID 86226767

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of (2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride (CID 162420387) is (2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for (2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for (2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride is C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)CN1.Cl.
What is the InChIKey of (2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is UYONGEPJQOCUTM-DHXVBOOMSA-N. The full InChI is InChI=1S/C14H19F3N2.ClH/c1-10-8-19(11(2)7-18-10)9-12-4-3-5-13(6-12)14(15,16)17;/h3-6,10-11,18H,7-9H2,1-2H3;1H/t10-,11+;/m1./s1.
What are the key properties of (2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 308.78 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 162420387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).