1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride

C14H21Cl2F3N2O — CID 171279194

IUPAC1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H19F3N2O.2ClH/c1-2-13(19-9-7-18-8-10-19)11-3-5-12(6-4-11)20-14(15,16)17;;/h3-6,13,18H,2,7-10H2,1H3;2*1H/t13-;;/m0../s1
InChIKeyGVBNDVXBDHKZAP-GXKRWWSZSA-N
MW361.24 g/mol
LogP3.79
Rot. Bonds4

About 1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride

1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride (PubChem CID 171279194) has the molecular formula C14H21Cl2F3N2O and a molecular weight of 361.24 g/mol. Its IUPAC name is 1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
PubChem CID171279194
Molecular FormulaC14H21Cl2F3N2O
Molecular Weight361.24 g/mol
Exact Mass360.10
IUPAC Name1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H19F3N2O.2ClH/c1-2-13(19-9-7-18-8-10-19)11-3-5-12(6-4-11)20-14(15,16)17;;/h3-6,13,18H,2,7-10H2,1H3;2*1H/t13-;;/m0../s1
InChIKeyGVBNDVXBDHKZAP-GXKRWWSZSA-N
XLogP3.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279645
1-[(1R)-2-fluoro-1-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171182554
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]hexyl]piperazine;dihydrochloride
CID 171309260
1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 95480577
1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine
CID 171170906
1-[(1R)-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]piperazine;hydrochloride
CID 171170883
(4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride
CID 171173829
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165806
1-[1-(4-ethoxyphenyl)propyl]piperazine
CID 3597592
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
1-[(1S)-1-[3-bromo-5-(trifluoromethoxy)phenyl]propyl]piperazine
CID 171165677

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride (CID 171279194) is 1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride is CC[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride?
The InChIKey is GVBNDVXBDHKZAP-GXKRWWSZSA-N. The full InChI is InChI=1S/C14H19F3N2O.2ClH/c1-2-13(19-9-7-18-8-10-19)11-3-5-12(6-4-11)20-14(15,16)17;;/h3-6,13,18H,2,7-10H2,1H3;2*1H/t13-;;/m0../s1.
What are the key properties of 1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride?
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride has a molecular weight of 361.24 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171279194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).