1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride

C17H25ClF4N2O — CID 171171217

IUPAC1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride
SMILESCC(C)C[C@H](c1ccc(OC(F)(F)C(F)F)cc1)N1CCNCC1.Cl
InChIInChI=1S/C17H24F4N2O.ClH/c1-12(2)11-15(23-9-7-22-8-10-23)13-3-5-14(6-4-13)24-17(20,21)16(18)19;/h3-6,12,15-16,22H,7-11H2,1-2H3;1H/t15-;/m1./s1
InChIKeyIWEGWHRCAZJLQQ-XFULWGLBSA-N
MW384.85 g/mol
LogP4.34
Rot. Bonds7

About 1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride

1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride (PubChem CID 171171217) has the molecular formula C17H25ClF4N2O and a molecular weight of 384.85 g/mol. Its IUPAC name is 1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride
PubChem CID171171217
Molecular FormulaC17H25ClF4N2O
Molecular Weight384.85 g/mol
Exact Mass384.16
IUPAC Name1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride
SMILESCC(C)C[C@H](c1ccc(OC(F)(F)C(F)F)cc1)N1CCNCC1.Cl
InChIInChI=1S/C17H24F4N2O.ClH/c1-12(2)11-15(23-9-7-22-8-10-23)13-3-5-14(6-4-13)24-17(20,21)16(18)19;/h3-6,12,15-16,22H,7-11H2,1-2H3;1H/t15-;/m1./s1
InChIKeyIWEGWHRCAZJLQQ-XFULWGLBSA-N
XLogP4.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine
CID 171170906
1-[(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279645
1-[(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]piperazine;hydrochloride
CID 171182597
1-[(1S)-3,3,3-trifluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165894
1-[(1S)-1-[4-(difluoromethoxy)phenyl]-3-methylbutyl]piperazine;dihydrochloride
CID 171278259
(3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
CID 171173823
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171171241
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine
CID 171171240
1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine
CID 171304664
1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
CID 171286892
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
1-[(1S)-2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279665

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride (CID 171171217) is 1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride is CC(C)C[C@H](c1ccc(OC(F)(F)C(F)F)cc1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride?
The InChIKey is IWEGWHRCAZJLQQ-XFULWGLBSA-N. The full InChI is InChI=1S/C17H24F4N2O.ClH/c1-12(2)11-15(23-9-7-22-8-10-23)13-3-5-14(6-4-13)24-17(20,21)16(18)19;/h3-6,12,15-16,22H,7-11H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of 1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride?
1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride has a molecular weight of 384.85 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride is sourced from PubChem (CID 171171217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).