1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride

C15H19ClF4N2O — CID 171171185

IUPAC1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
SMILESC=C[C@H](c1ccc(OC(F)(F)C(F)F)cc1)N1CCNCC1.Cl
InChIInChI=1S/C15H18F4N2O.ClH/c1-2-13(21-9-7-20-8-10-21)11-3-5-12(6-4-11)22-15(18,19)14(16)17;/h2-6,13-14,20H,1,7-10H2;1H/t13-;/m1./s1
InChIKeyKQMKBDLQPIDSKA-BTQNPOSSSA-N
MW354.78 g/mol
LogP3.48
Rot. Bonds6

About 1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride

1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride (PubChem CID 171171185) has the molecular formula C15H19ClF4N2O and a molecular weight of 354.78 g/mol. Its IUPAC name is 1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
PubChem CID171171185
Molecular FormulaC15H19ClF4N2O
Molecular Weight354.78 g/mol
Exact Mass354.11
IUPAC Name1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
SMILESC=C[C@H](c1ccc(OC(F)(F)C(F)F)cc1)N1CCNCC1.Cl
InChIInChI=1S/C15H18F4N2O.ClH/c1-2-13(21-9-7-20-8-10-21)11-3-5-12(6-4-11)22-15(18,19)14(16)17;/h2-6,13-14,20H,1,7-10H2;1H/t13-;/m1./s1
InChIKeyKQMKBDLQPIDSKA-BTQNPOSSSA-N
XLogP3.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.78
LogP ≤ 53.48
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

1-[(1R)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171171215
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)-2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279665
1-[(1S)-3,3,3-trifluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165894
trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride
CID 171291643
1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171292277
1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride
CID 171171217
(3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
CID 171173823
1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine
CID 171304664
1-[(S)-furan-2-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176921
4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131631160

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride (CID 171171185) is 1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride is C=C[C@H](c1ccc(OC(F)(F)C(F)F)cc1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride?
The InChIKey is KQMKBDLQPIDSKA-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H18F4N2O.ClH/c1-2-13(21-9-7-20-8-10-21)11-3-5-12(6-4-11)22-15(18,19)14(16)17;/h2-6,13-14,20H,1,7-10H2;1H/t13-;/m1./s1.
What are the key properties of 1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride?
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride has a molecular weight of 354.78 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride is sourced from PubChem (CID 171171185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).