1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine

C14H18F4N2O — CID 171178051

IUPAC1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine
SMILESCOc1cc(F)c([C@@H](CC(F)F)N2CCNCC2)c(F)c1
InChIInChI=1S/C14H18F4N2O/c1-21-9-6-10(15)14(11(16)7-9)12(8-13(17)18)20-4-2-19-3-5-20/h6-7,12-13,19H,2-5,8H2,1H3/t12-/m1/s1
InChIKeyVYBZBKNATQKUSV-GFCCVEGCSA-N
MW306.30 g/mol
LogP2.57
Rot. Bonds5

About 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine

1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine (PubChem CID 171178051) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine
PubChem CID171178051
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC Name1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine
SMILESCOc1cc(F)c([C@@H](CC(F)F)N2CCNCC2)c(F)c1
InChIInChI=1S/C14H18F4N2O/c1-21-9-6-10(15)14(11(16)7-9)12(8-13(17)18)20-4-2-19-3-5-20/h6-7,12-13,19H,2-5,8H2,1H3/t12-/m1/s1
InChIKeyVYBZBKNATQKUSV-GFCCVEGCSA-N
XLogP2.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178562
1-[(1S)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride
CID 171167769
1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride
CID 171173084
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
CID 171175380
1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hept-6-enyl]piperazine
CID 171173093
1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine
CID 171169989
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171175381
1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine
CID 171177753
1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine
CID 171178059
1-[(1S)-3,3-difluoro-1-(4-fluoro-3-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171179855
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine
CID 171169981
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180623

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine (CID 171178051) is 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine is COc1cc(F)c([C@@H](CC(F)F)N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine?
The InChIKey is VYBZBKNATQKUSV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-21-9-6-10(15)14(11(16)7-9)12(8-13(17)18)20-4-2-19-3-5-20/h6-7,12-13,19H,2-5,8H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine?
1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine has a molecular weight of 306.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine is sourced from PubChem (CID 171178051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).