1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride

C14H19Cl2F3N2O — CID 171293086

IUPAC1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1ccccc1OC(F)(F)F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H17F3N2O.2ClH/c1-2-12(19-9-7-18-8-10-19)11-5-3-4-6-13(11)20-14(15,16)17;;/h2-6,12,18H,1,7-10H2;2*1H/t12-;;/m1../s1
InChIKeyLOHXXLUCYCBRQX-CURYUGHLSA-N
MW359.22 g/mol
LogP3.56
Rot. Bonds4

About 1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride

1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride (PubChem CID 171293086) has the molecular formula C14H19Cl2F3N2O and a molecular weight of 359.22 g/mol. Its IUPAC name is 1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride
PubChem CID171293086
Molecular FormulaC14H19Cl2F3N2O
Molecular Weight359.22 g/mol
Exact Mass358.08
IUPAC Name1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1ccccc1OC(F)(F)F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H17F3N2O.2ClH/c1-2-12(19-9-7-18-8-10-19)11-5-3-4-6-13(11)20-14(15,16)17;;/h2-6,12,18H,1,7-10H2;2*1H/t12-;;/m1../s1
InChIKeyLOHXXLUCYCBRQX-CURYUGHLSA-N
XLogP3.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-[2-(trifluoromethoxy)phenyl]but-3-enyl]piperazine;hydrochloride
CID 171172093
1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171171327
1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
CID 171173304
1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171167887
1-[(1R)-1-(2-fluorophenyl)prop-2-enyl]piperazine
CID 102231371
1-[(1S)-3-fluoro-1-[2-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171166620
1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171294072
1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
CID 171173290
2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131622980
1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280478
1-[(R)-thiophen-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280475
1-[(1S)-3-methyl-1-[2-(trifluoromethoxy)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171280487

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride (CID 171293086) is 1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride is C=C[C@H](c1ccccc1OC(F)(F)F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride?
The InChIKey is LOHXXLUCYCBRQX-CURYUGHLSA-N. The full InChI is InChI=1S/C14H17F3N2O.2ClH/c1-2-12(19-9-7-18-8-10-19)11-5-3-4-6-13(11)20-14(15,16)17;;/h2-6,12,18H,1,7-10H2;2*1H/t12-;;/m1../s1.
What are the key properties of 1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride?
1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride has a molecular weight of 359.22 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171293086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).