1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine

C18H27F3N2O — CID 171171020

IUPAC1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine
SMILESCCCCC[C@H](c1ccc(OC)cc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C18H27F3N2O/c1-3-4-5-6-17(23-11-9-22-10-12-23)15-8-7-14(24-2)13-16(15)18(19,20)21/h7-8,13,17,22H,3-6,9-12H2,1-2H3/t17-/m1/s1
InChIKeyFHYOGHXCHOARJA-QGZVFWFLSA-N
MW344.42 g/mol
LogP4.24
Rot. Bonds7

About 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine

1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine (PubChem CID 171171020) has the molecular formula C18H27F3N2O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine
PubChem CID171171020
Molecular FormulaC18H27F3N2O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC Name1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine
SMILESCCCCC[C@H](c1ccc(OC)cc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C18H27F3N2O/c1-3-4-5-6-17(23-11-9-22-10-12-23)15-8-7-14(24-2)13-16(15)18(19,20)21/h7-8,13,17,22H,3-6,9-12H2,1-2H3/t17-/m1/s1
InChIKeyFHYOGHXCHOARJA-QGZVFWFLSA-N
XLogP4.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171165648
1-[(1S)-4,4,4-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperazine
CID 171165681
1-[(1R)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171171067
1-[(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171165361
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)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171171043
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
(3R)-3-[4-methoxy-2-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306916
4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307637
1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171309604
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine?
The IUPAC name of 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine (CID 171171020) is 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine is CCCCC[C@H](c1ccc(OC)cc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine?
The InChIKey is FHYOGHXCHOARJA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27F3N2O/c1-3-4-5-6-17(23-11-9-22-10-12-23)15-8-7-14(24-2)13-16(15)18(19,20)21/h7-8,13,17,22H,3-6,9-12H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine?
1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine has a molecular weight of 344.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine is sourced from PubChem (CID 171171020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).