1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane

C13H20F2N2O — CID 145414301

IUPAC1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane
SMILESCC.COc1cc(N2CCNCC2)cc(F)c1F
InChIInChI=1S/C11H14F2N2O.C2H6/c1-16-10-7-8(6-9(12)11(10)13)15-4-2-14-3-5-15;1-2/h6-7,14H,2-5H2,1H3;1-2H3
InChIKeyDKEWFOSGIPEBOL-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.41
Rot. Bonds2

About 1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane

1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane (PubChem CID 145414301) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane.

Molecular Properties

Compound Name1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane
PubChem CID145414301
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane
SMILESCC.COc1cc(N2CCNCC2)cc(F)c1F
InChIInChI=1S/C11H14F2N2O.C2H6/c1-16-10-7-8(6-9(12)11(10)13)15-4-2-14-3-5-15;1-2/h6-7,14H,2-5H2,1H3;1-2H3
InChIKeyDKEWFOSGIPEBOL-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4,5-trimethoxyphenyl)piperazine;hydrobromide
CID 12899422
ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
1-(4-chloro-3,5-difluorophenyl)piperazine
CID 84795776
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
2-methoxy-4-piperazin-1-ylphenol
CID 24820540
ethane;1-(4-ethyl-3-methoxyphenyl)piperazine
CID 176935078
5-fluoro-4-methoxy-2-piperazin-1-ylaniline
CID 63597500
1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine
CID 176727239
1-(3,4-difluorophenyl)piperazine
CID 2783122
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane?
The IUPAC name of 1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane (CID 145414301) is 1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane.
What is the SMILES notation for 1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane?
The canonical SMILES for 1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane is CC.COc1cc(N2CCNCC2)cc(F)c1F.
What is the InChIKey of 1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane?
The InChIKey is DKEWFOSGIPEBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O.C2H6/c1-16-10-7-8(6-9(12)11(10)13)15-4-2-14-3-5-15;1-2/h6-7,14H,2-5H2,1H3;1-2H3.
What are the key properties of 1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane?
1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane has a molecular weight of 258.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane is sourced from PubChem (CID 145414301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).