1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine

C13H18F2N2O — CID 93464479

IUPAC1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine
SMILESC[C@H](c1cccc(OC(F)F)c1)N1CCNCC1
InChIInChI=1S/C13H18F2N2O/c1-10(17-7-5-16-6-8-17)11-3-2-4-12(9-11)18-13(14)15/h2-4,9-10,13,16H,5-8H2,1H3/t10-/m1/s1
InChIKeyXWMIAEYGESVOCF-SNVBAGLBSA-N
MW256.30 g/mol
LogP2.25
Rot. Bonds4

About 1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine

1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine (PubChem CID 93464479) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine
PubChem CID93464479
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine
SMILESC[C@H](c1cccc(OC(F)F)c1)N1CCNCC1
InChIInChI=1S/C13H18F2N2O/c1-10(17-7-5-16-6-8-17)11-3-2-4-12(9-11)18-13(14)15/h2-4,9-10,13,16H,5-8H2,1H3/t10-/m1/s1
InChIKeyXWMIAEYGESVOCF-SNVBAGLBSA-N
XLogP2.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171278221
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine
CID 171181941
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171290844
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171290841
1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171176360
1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171307865
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
1-[(S)-[3-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171278228
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
2-[1-[1-[3-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]propanoic acid
CID 116684727

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine?
The IUPAC name of 1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine (CID 93464479) is 1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine is C[C@H](c1cccc(OC(F)F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine?
The InChIKey is XWMIAEYGESVOCF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-10(17-7-5-16-6-8-17)11-3-2-4-12(9-11)18-13(14)15/h2-4,9-10,13,16H,5-8H2,1H3/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine?
1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine has a molecular weight of 256.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine is sourced from PubChem (CID 93464479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).