1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride

C14H21Cl2F3N2O2 — CID 171282753

IUPAC1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1cc(F)c([C@H](C(F)F)N2CCNCC2)cc1OC.Cl.Cl
InChIInChI=1S/C14H19F3N2O2.2ClH/c1-20-11-7-9(10(15)8-12(11)21-2)13(14(16)17)19-5-3-18-4-6-19;;/h7-8,13-14,18H,3-6H2,1-2H3;2*1H/t13-;;/m1../s1
InChIKeyDHOSAEMMOOEXTP-FFXKMJQXSA-N
MW377.23 g/mol
LogP2.90
Rot. Bonds5

About 1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride

1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171282753) has the molecular formula C14H21Cl2F3N2O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is 1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171282753
Molecular FormulaC14H21Cl2F3N2O2
Molecular Weight377.23 g/mol
Exact Mass376.09
IUPAC Name1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1cc(F)c([C@H](C(F)F)N2CCNCC2)cc1OC.Cl.Cl
InChIInChI=1S/C14H19F3N2O2.2ClH/c1-20-11-7-9(10(15)8-12(11)21-2)13(14(16)17)19-5-3-18-4-6-19;;/h7-8,13-14,18H,3-6H2,1-2H3;2*1H/t13-;;/m1../s1
InChIKeyDHOSAEMMOOEXTP-FFXKMJQXSA-N
XLogP2.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286184
1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171280176
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295389
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171295369
2-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-4-fluoro-6-methoxyphenol;dihydrochloride
CID 171299723
(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 171174768
1-[(1S)-2,2-difluoro-1-(4-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 171290660
1-[(1S)-2,2-difluoro-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296858
1-[(S)-(2-fluoro-4,5-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171282763
1-[(1S)-2,2-difluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171289543
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171291492
4-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171278867

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride (CID 171282753) is 1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride is COc1cc(F)c([C@H](C(F)F)N2CCNCC2)cc1OC.Cl.Cl.
What is the InChIKey of 1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is DHOSAEMMOOEXTP-FFXKMJQXSA-N. The full InChI is InChI=1S/C14H19F3N2O2.2ClH/c1-20-11-7-9(10(15)8-12(11)21-2)13(14(16)17)19-5-3-18-4-6-19;;/h7-8,13-14,18H,3-6H2,1-2H3;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 377.23 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171282753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).