1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine

C15H19F3N2O2 — CID 171173304

IUPAC1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
SMILESC=C[C@H](c1ccc(OC(F)(F)F)cc1OC)N1CCNCC1
InChIInChI=1S/C15H19F3N2O2/c1-3-13(20-8-6-19-7-9-20)12-5-4-11(10-14(12)21-2)22-15(16,17)18/h3-5,10,13,19H,1,6-9H2,2H3/t13-/m1/s1
InChIKeyXDZYBHPRGMIZTL-CYBMUJFWSA-N
MW316.32 g/mol
LogP2.73
Rot. Bonds5

About 1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine

1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine (PubChem CID 171173304) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
PubChem CID171173304
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
SMILESC=C[C@H](c1ccc(OC(F)(F)F)cc1OC)N1CCNCC1
InChIInChI=1S/C15H19F3N2O2/c1-3-13(20-8-6-19-7-9-20)12-5-4-11(10-14(12)21-2)22-15(16,17)18/h3-5,10,13,19H,1,6-9H2,2H3/t13-/m1/s1
InChIKeyXDZYBHPRGMIZTL-CYBMUJFWSA-N
XLogP2.73
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171171327
1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
CID 171173290
1-[(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171284340
1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171167887
1-[(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine
CID 171168030
1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287396
3-methoxy-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171287117
1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171304949
1-[(1S)-3,3,3-trifluoro-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171168021
1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride
CID 171293086
1-[(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]butyl]piperazine;dihydrochloride
CID 171284357
1-[(R)-cyclobutyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296970

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine (CID 171173304) is 1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine is C=C[C@H](c1ccc(OC(F)(F)F)cc1OC)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine?
The InChIKey is XDZYBHPRGMIZTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-3-13(20-8-6-19-7-9-20)12-5-4-11(10-14(12)21-2)22-15(16,17)18/h3-5,10,13,19H,1,6-9H2,2H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine?
1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine has a molecular weight of 316.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine is sourced from PubChem (CID 171173304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).