1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine

C17H22F4N2O — CID 171279614

IUPAC1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1ccccc1OC(F)(F)C(F)F)N1CCNCC1
InChIInChI=1S/C17H22F4N2O/c1-2-3-7-14(23-11-9-22-10-12-23)13-6-4-5-8-15(13)24-17(20,21)16(18)19/h2,4-6,8,14,16,22H,1,3,7,9-12H2/t14-/m0/s1
InChIKeyXEMWVDBOOKBPOE-AWEZNQCLSA-N
MW346.37 g/mol
LogP3.84
Rot. Bonds8

About 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine

1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine (PubChem CID 171279614) has the molecular formula C17H22F4N2O and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine
PubChem CID171279614
Molecular FormulaC17H22F4N2O
Molecular Weight346.37 g/mol
Exact Mass346.17
IUPAC Name1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1ccccc1OC(F)(F)C(F)F)N1CCNCC1
InChIInChI=1S/C17H22F4N2O/c1-2-3-7-14(23-11-9-22-10-12-23)13-6-4-5-8-15(13)24-17(20,21)16(18)19/h2,4-6,8,14,16,22H,1,3,7,9-12H2/t14-/m0/s1
InChIKeyXEMWVDBOOKBPOE-AWEZNQCLSA-N
XLogP3.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-piperazin-1-yl-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
CID 171174568
1-[(1S)-4-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171310278
1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165820
1-[(1R)-3,3,3-trifluoro-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171303826
1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171171145
1-[(1R)-2-cyclopropyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171292233
1-[(1R)-1-[2-(trifluoromethoxy)phenyl]but-3-enyl]piperazine;hydrochloride
CID 171172093
1-[(1S)-1-[5-bromo-2-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine;dihydrochloride
CID 171279399
1-[(1S)-3-fluoro-1-[2-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171166620
2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171274672
1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine
CID 171292685
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine
CID 171281332

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine (CID 171279614) is 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine is C=CCC[C@@H](c1ccccc1OC(F)(F)C(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine?
The InChIKey is XEMWVDBOOKBPOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22F4N2O/c1-2-3-7-14(23-11-9-22-10-12-23)13-6-4-5-8-15(13)24-17(20,21)16(18)19/h2,4-6,8,14,16,22H,1,3,7,9-12H2/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine?
1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine has a molecular weight of 346.37 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine is sourced from PubChem (CID 171279614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).