1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride

C14H20Cl2F4N2 — CID 171302367

IUPAC1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@H](CCC(F)(F)F)N2CCNCC2)cc1
InChIInChI=1S/C14H18F4N2.2ClH/c15-12-3-1-11(2-4-12)13(5-6-14(16,17)18)20-9-7-19-8-10-20;;/h1-4,13,19H,5-10H2;2*1H/t13-;;/m0../s1
InChIKeyAUVLXDIMXPFWFQ-GXKRWWSZSA-N
MW363.23 g/mol
LogP3.96
Rot. Bonds4

About 1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride

1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride (PubChem CID 171302367) has the molecular formula C14H20Cl2F4N2 and a molecular weight of 363.23 g/mol. Its IUPAC name is 1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
PubChem CID171302367
Molecular FormulaC14H20Cl2F4N2
Molecular Weight363.23 g/mol
Exact Mass362.09
IUPAC Name1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@H](CCC(F)(F)F)N2CCNCC2)cc1
InChIInChI=1S/C14H18F4N2.2ClH/c15-12-3-1-11(2-4-12)13(5-6-14(16,17)18)20-9-7-19-8-10-20;;/h1-4,13,19H,5-10H2;2*1H/t13-;;/m0../s1
InChIKeyAUVLXDIMXPFWFQ-GXKRWWSZSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-4,4,4-trifluoro-1-(4-iodophenyl)butyl]piperazine;hydrochloride
CID 171163757
1-[(1S)-4,4,4-trifluoro-1-(4-methylphenyl)butyl]piperazine;dihydrochloride
CID 171303015
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914
1-[(1R)-1-(4-ethylphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303945
1-[(1S)-1-(3,5-difluorophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164426
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173429
1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171173138
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine
CID 171170580
1-[(1S)-4,4,4-trifluoro-1-(4-nitrophenyl)butyl]piperazine;dihydrochloride
CID 171302315
2-fluoro-4-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171162839
1-[(1S)-1-(3,4-dibromophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303163

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride (CID 171302367) is 1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc([C@H](CCC(F)(F)F)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride?
The InChIKey is AUVLXDIMXPFWFQ-GXKRWWSZSA-N. The full InChI is InChI=1S/C14H18F4N2.2ClH/c15-12-3-1-11(2-4-12)13(5-6-14(16,17)18)20-9-7-19-8-10-20;;/h1-4,13,19H,5-10H2;2*1H/t13-;;/m0../s1.
What are the key properties of 1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride?
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride has a molecular weight of 363.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171302367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).