1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride

C15H23Cl2F3N2 — CID 171303944

IUPAC1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
SMILESCCc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C15H21F3N2.2ClH/c1-2-12-3-5-13(6-4-12)14(11-15(16,17)18)20-9-7-19-8-10-20;;/h3-6,14,19H,2,7-11H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyGRZRTEGJTCFXQK-FMOMHUKBSA-N
MW359.26 g/mol
LogP3.99
Rot. Bonds4

About 1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride

1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride (PubChem CID 171303944) has the molecular formula C15H23Cl2F3N2 and a molecular weight of 359.26 g/mol. Its IUPAC name is 1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
PubChem CID171303944
Molecular FormulaC15H23Cl2F3N2
Molecular Weight359.26 g/mol
Exact Mass358.12
IUPAC Name1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
SMILESCCc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C15H21F3N2.2ClH/c1-2-12-3-5-13(6-4-12)14(11-15(16,17)18)20-9-7-19-8-10-20;;/h3-6,14,19H,2,7-11H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyGRZRTEGJTCFXQK-FMOMHUKBSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-ethylphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303945
1-[(1R)-3,3,3-trifluoro-1-(4-iodophenyl)propyl]piperazine;dihydrochloride
CID 171303530
1-[(1S)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163089
1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169001
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180890
N,N-diethyl-4-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]aniline
CID 171302840
1-[(1S)-3,3,3-trifluoro-1-pyridin-4-ylpropyl]piperazine;dihydrochloride
CID 171302429
1-[(1S)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propyl]piperazine
CID 171162703
1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 171167509
N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride
CID 171303739
1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171172047

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride (CID 171303944) is 1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride is CCc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride?
The InChIKey is GRZRTEGJTCFXQK-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H21F3N2.2ClH/c1-2-12-3-5-13(6-4-12)14(11-15(16,17)18)20-9-7-19-8-10-20;;/h3-6,14,19H,2,7-11H2,1H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride?
1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride has a molecular weight of 359.26 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride is sourced from PubChem (CID 171303944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).