1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride

C13H19Cl2F3N2O — CID 171280176

IUPAC1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccc(F)c([C@H](C(F)F)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C13H17F3N2O.2ClH/c1-19-9-2-3-11(14)10(8-9)12(13(15)16)18-6-4-17-5-7-18;;/h2-3,8,12-13,17H,4-7H2,1H3;2*1H/t12-;;/m1../s1
InChIKeyUGUGXRMNYNCSPP-CURYUGHLSA-N
MW347.21 g/mol
LogP2.89
Rot. Bonds4

About 1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride

1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171280176) has the molecular formula C13H19Cl2F3N2O and a molecular weight of 347.21 g/mol. Its IUPAC name is 1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171280176
Molecular FormulaC13H19Cl2F3N2O
Molecular Weight347.21 g/mol
Exact Mass346.08
IUPAC Name1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccc(F)c([C@H](C(F)F)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C13H17F3N2O.2ClH/c1-19-9-2-3-11(14)10(8-9)12(13(15)16)18-6-4-17-5-7-18;;/h2-3,8,12-13,17H,4-7H2,1H3;2*1H/t12-;;/m1../s1
InChIKeyUGUGXRMNYNCSPP-CURYUGHLSA-N
XLogP2.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171166365
1-[(1S)-2,2-difluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171289543
1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171282753
1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine
CID 171182642
(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174680
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805
1-[(1R)-1-(5-bromo-2-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171274394
1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171287219
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
1-[(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171163196
(3R)-3-(2-fluoro-5-methoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171177181
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171276068

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride (CID 171280176) is 1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride is COc1ccc(F)c([C@H](C(F)F)N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is UGUGXRMNYNCSPP-CURYUGHLSA-N. The full InChI is InChI=1S/C13H17F3N2O.2ClH/c1-19-9-2-3-11(14)10(8-9)12(13(15)16)18-6-4-17-5-7-18;;/h2-3,8,12-13,17H,4-7H2,1H3;2*1H/t12-;;/m1../s1.
What are the key properties of 1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 347.21 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171280176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).