1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride

C17H26ClF3N2O — CID 171165648

IUPAC1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1ccc(OC)cc1C(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C17H25F3N2O.ClH/c1-3-4-5-16(22-10-8-21-9-11-22)14-7-6-13(23-2)12-15(14)17(18,19)20;/h6-7,12,16,21H,3-5,8-11H2,1-2H3;1H/t16-;/m0./s1
InChIKeyUHYJOEOKGYHTNR-NTISSMGPSA-N
MW366.86 g/mol
LogP4.27
Rot. Bonds6

About 1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride

1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride (PubChem CID 171165648) has the molecular formula C17H26ClF3N2O and a molecular weight of 366.86 g/mol. Its IUPAC name is 1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
PubChem CID171165648
Molecular FormulaC17H26ClF3N2O
Molecular Weight366.86 g/mol
Exact Mass366.17
IUPAC Name1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1ccc(OC)cc1C(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C17H25F3N2O.ClH/c1-3-4-5-16(22-10-8-21-9-11-22)14-7-6-13(23-2)12-15(14)17(18,19)20;/h6-7,12,16,21H,3-5,8-11H2,1-2H3;1H/t16-;/m0./s1
InChIKeyUHYJOEOKGYHTNR-NTISSMGPSA-N
XLogP4.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171171020
1-[(1R)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171171067
1-[(1S)-4,4,4-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperazine
CID 171165681
1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171171043
1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171309604
(3R)-3-[4-methoxy-2-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306916
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171279467
1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309199
1-[(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171309256
1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308814
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride (CID 171165648) is 1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride is CCCC[C@@H](c1ccc(OC)cc1C(F)(F)F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride?
The InChIKey is UHYJOEOKGYHTNR-NTISSMGPSA-N. The full InChI is InChI=1S/C17H25F3N2O.ClH/c1-3-4-5-16(22-10-8-21-9-11-22)14-7-6-13(23-2)12-15(14)17(18,19)20;/h6-7,12,16,21H,3-5,8-11H2,1-2H3;1H/t16-;/m0./s1.
What are the key properties of 1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride?
1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride has a molecular weight of 366.86 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride is sourced from PubChem (CID 171165648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).