1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine

C15H20F4N2O — CID 171165847

IUPAC1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine
SMILESCC[C@@H](c1cccc(OC(F)(F)C(F)F)c1)N1CCNCC1
InChIInChI=1S/C15H20F4N2O/c1-2-13(21-8-6-20-7-9-21)11-4-3-5-12(10-11)22-15(18,19)14(16)17/h3-5,10,13-14,20H,2,6-9H2,1H3/t13-/m0/s1
InChIKeyWBRHXGKPUVRTQK-ZDUSSCGKSA-N
MW320.33 g/mol
LogP3.28
Rot. Bonds6

About 1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine

1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine (PubChem CID 171165847) has the molecular formula C15H20F4N2O and a molecular weight of 320.33 g/mol. Its IUPAC name is 1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine
PubChem CID171165847
Molecular FormulaC15H20F4N2O
Molecular Weight320.33 g/mol
Exact Mass320.15
IUPAC Name1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine
SMILESCC[C@@H](c1cccc(OC(F)(F)C(F)F)c1)N1CCNCC1
InChIInChI=1S/C15H20F4N2O/c1-2-13(21-8-6-20-7-9-21)11-4-3-5-12(10-11)22-15(18,19)14(16)17/h3-5,10,13-14,20H,2,6-9H2,1H3/t13-/m0/s1
InChIKeyWBRHXGKPUVRTQK-ZDUSSCGKSA-N
XLogP3.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.28
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)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171171215
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171308077
1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171309375
1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine
CID 171310343
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171172081
1-[(1S)-1-(3-ethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164818
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine
CID 171181941
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171290844
1-[(S)-oxan-4-yl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279633
1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165820
1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171307865

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine?
The IUPAC name of 1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine (CID 171165847) is 1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine?
The canonical SMILES for 1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine is CC[C@@H](c1cccc(OC(F)(F)C(F)F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine?
The InChIKey is WBRHXGKPUVRTQK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20F4N2O/c1-2-13(21-8-6-20-7-9-21)11-4-3-5-12(10-11)22-15(18,19)14(16)17/h3-5,10,13-14,20H,2,6-9H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine?
1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine has a molecular weight of 320.33 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine is sourced from PubChem (CID 171165847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).