1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride

C14H20Cl2F4N2 — CID 171279886

IUPAC1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1cc(F)ccc1C(F)(F)F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H18F4N2.2ClH/c1-2-13(20-7-5-19-6-8-20)11-9-10(15)3-4-12(11)14(16,17)18;;/h3-4,9,13,19H,2,5-8H2,1H3;2*1H/t13-;;/m0../s1
InChIKeyCENOJKCETGPPTN-GXKRWWSZSA-N
MW363.23 g/mol
LogP4.04
Rot. Bonds3

About 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride

1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride (PubChem CID 171279886) has the molecular formula C14H20Cl2F4N2 and a molecular weight of 363.23 g/mol. Its IUPAC name is 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride
PubChem CID171279886
Molecular FormulaC14H20Cl2F4N2
Molecular Weight363.23 g/mol
Exact Mass362.09
IUPAC Name1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1cc(F)ccc1C(F)(F)F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H18F4N2.2ClH/c1-2-13(20-7-5-19-6-8-20)11-9-10(15)3-4-12(11)14(16,17)18;;/h3-4,9,13,19H,2,5-8H2,1H3;2*1H/t13-;;/m0../s1
InChIKeyCENOJKCETGPPTN-GXKRWWSZSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171171513
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171166176
1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171166070
1-[(1S)-1-(2,5-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171277042
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166024
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171166146
(3S)-3-[5-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171176987
1-[1-(2,5-difluorophenyl)propyl]-1,4-diazepane
CID 82298844
1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine
CID 171171672
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171305445
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171166040
1-[1-[2-(trifluoromethyl)phenyl]propyl]-1,4-diazepane
CID 3580285

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride (CID 171279886) is 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride is CC[C@@H](c1cc(F)ccc1C(F)(F)F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride?
The InChIKey is CENOJKCETGPPTN-GXKRWWSZSA-N. The full InChI is InChI=1S/C14H18F4N2.2ClH/c1-2-13(20-7-5-19-6-8-20)11-9-10(15)3-4-12(11)14(16,17)18;;/h3-4,9,13,19H,2,5-8H2,1H3;2*1H/t13-;;/m0../s1.
What are the key properties of 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride?
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride has a molecular weight of 363.23 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171279886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).