1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride

C18H25ClF4N2 — CID 171166052

IUPAC1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(C(F)(F)F)c([C@H](C2CCCCC2)N2CCNCC2)c1
InChIInChI=1S/C18H24F4N2.ClH/c19-14-6-7-16(18(20,21)22)15(12-14)17(13-4-2-1-3-5-13)24-10-8-23-9-11-24;/h6-7,12-13,17,23H,1-5,8-11H2;1H/t17-;/m0./s1
InChIKeyJOLGKUCQBIFJQF-LMOVPXPDSA-N
MW380.86 g/mol
LogP4.79
Rot. Bonds3

About 1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride

1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride (PubChem CID 171166052) has the molecular formula C18H25ClF4N2 and a molecular weight of 380.86 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
PubChem CID171166052
Molecular FormulaC18H25ClF4N2
Molecular Weight380.86 g/mol
Exact Mass380.16
IUPAC Name1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(C(F)(F)F)c([C@H](C2CCCCC2)N2CCNCC2)c1
InChIInChI=1S/C18H24F4N2.ClH/c19-14-6-7-16(18(20,21)22)15(12-14)17(13-4-2-1-3-5-13)24-10-8-23-9-11-24;/h6-7,12-13,17,23H,1-5,8-11H2;1H/t17-;/m0./s1
InChIKeyJOLGKUCQBIFJQF-LMOVPXPDSA-N
XLogP4.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171171421
1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292518
1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171166055
1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288497
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride
CID 171168246
1-[(S)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289675
1-[(S)-cyclohexyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171280105
1-[(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171280552
1-[(S)-(2-bromo-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163412
1-[(R)-(2-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171169175

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride (CID 171166052) is 1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride is Cl.Fc1ccc(C(F)(F)F)c([C@H](C2CCCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is JOLGKUCQBIFJQF-LMOVPXPDSA-N. The full InChI is InChI=1S/C18H24F4N2.ClH/c19-14-6-7-16(18(20,21)22)15(12-14)17(13-4-2-1-3-5-13)24-10-8-23-9-11-24;/h6-7,12-13,17,23H,1-5,8-11H2;1H/t17-;/m0./s1.
What are the key properties of 1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 380.86 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171166052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).