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

C17H24F4N2O — CID 171304664

IUPAC1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine
SMILESCCC(C)[C@H](c1ccc(OC(F)(F)C(F)F)cc1)N1CCNCC1
InChIInChI=1S/C17H24F4N2O/c1-3-12(2)15(23-10-8-22-9-11-23)13-4-6-14(7-5-13)24-17(20,21)16(18)19/h4-7,12,15-16,22H,3,8-11H2,1-2H3/t12?,15-/m1/s1
InChIKeyGEXADRIGKHVCAE-WPZCJLIBSA-N
MW348.38 g/mol
LogP3.92
Rot. Bonds7

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

1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine (PubChem CID 171304664) has the molecular formula C17H24F4N2O and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine
PubChem CID171304664
Molecular FormulaC17H24F4N2O
Molecular Weight348.38 g/mol
Exact Mass348.18
IUPAC Name1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine
SMILESCCC(C)[C@H](c1ccc(OC(F)(F)C(F)F)cc1)N1CCNCC1
InChIInChI=1S/C17H24F4N2O/c1-3-12(2)15(23-10-8-22-9-11-23)13-4-6-14(7-5-13)24-17(20,21)16(18)19/h4-7,12,15-16,22H,3,8-11H2,1-2H3/t12?,15-/m1/s1
InChIKeyGEXADRIGKHVCAE-WPZCJLIBSA-N
XLogP3.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.92
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-[(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279645
1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171304266
1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride
CID 171171217
1-[(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]piperazine;hydrochloride
CID 171182597
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine
CID 171171240
1-[(1S)-2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279665
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171171241
N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide
CID 171304592
1-[(1S)-3,3,3-trifluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165894
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304229
N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride
CID 171304593
1-[(1R)-2-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine
CID 171304812

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine?
The IUPAC name of 1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine (CID 171304664) is 1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine?
The canonical SMILES for 1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine is CCC(C)[C@H](c1ccc(OC(F)(F)C(F)F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine?
The InChIKey is GEXADRIGKHVCAE-WPZCJLIBSA-N. The full InChI is InChI=1S/C17H24F4N2O/c1-3-12(2)15(23-10-8-22-9-11-23)13-4-6-14(7-5-13)24-17(20,21)16(18)19/h4-7,12,15-16,22H,3,8-11H2,1-2H3/t12?,15-/m1/s1.
What are the key properties of 1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine?
1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine has a molecular weight of 348.38 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine is sourced from PubChem (CID 171304664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).