1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride

C18H27ClF4N2O — CID 171171145

IUPAC1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride
SMILESCCCCC[C@H](c1ccccc1OC(F)(F)C(F)F)N1CCNCC1.Cl
InChIInChI=1S/C18H26F4N2O.ClH/c1-2-3-4-8-15(24-12-10-23-11-13-24)14-7-5-6-9-16(14)25-18(21,22)17(19)20;/h5-7,9,15,17,23H,2-4,8,10-13H2,1H3;1H/t15-;/m1./s1
InChIKeyDRILIARYBYHMKA-XFULWGLBSA-N
MW398.87 g/mol
LogP4.87
Rot. Bonds9

About 1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride

1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride (PubChem CID 171171145) has the molecular formula C18H27ClF4N2O and a molecular weight of 398.87 g/mol. Its IUPAC name is 1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride
PubChem CID171171145
Molecular FormulaC18H27ClF4N2O
Molecular Weight398.87 g/mol
Exact Mass398.17
IUPAC Name1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride
SMILESCCCCC[C@H](c1ccccc1OC(F)(F)C(F)F)N1CCNCC1.Cl
InChIInChI=1S/C18H26F4N2O.ClH/c1-2-3-4-8-15(24-12-10-23-11-13-24)14-7-5-6-9-16(14)25-18(21,22)17(19)20;/h5-7,9,15,17,23H,2-4,8,10-13H2,1H3;1H/t15-;/m1./s1
InChIKeyDRILIARYBYHMKA-XFULWGLBSA-N
XLogP4.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165820
1-[(1S)-4-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171310278
(3S)-3-piperazin-1-yl-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
CID 171174568
1-[(1R)-3,3,3-trifluoro-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171303826
1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine
CID 171279614
1-[(1R)-2-cyclopropyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171292233
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171171241
1-[(1S)-3-fluoro-1-[2-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171166620
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine
CID 171171240
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505
1-[(1R)-1-(2-fluorophenyl)hexyl]piperazine
CID 171168263

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride (CID 171171145) is 1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride is CCCCC[C@H](c1ccccc1OC(F)(F)C(F)F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride?
The InChIKey is DRILIARYBYHMKA-XFULWGLBSA-N. The full InChI is InChI=1S/C18H26F4N2O.ClH/c1-2-3-4-8-15(24-12-10-23-11-13-24)14-7-5-6-9-16(14)25-18(21,22)17(19)20;/h5-7,9,15,17,23H,2-4,8,10-13H2,1H3;1H/t15-;/m1./s1.
What are the key properties of 1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride?
1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride has a molecular weight of 398.87 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride is sourced from PubChem (CID 171171145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).