1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine

C13H17F3N2 — CID 171182650

IUPAC1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine
SMILESCc1ccc([C@H](CF)N2CCNCC2)c(F)c1F
InChIInChI=1S/C13H17F3N2/c1-9-2-3-10(13(16)12(9)15)11(8-14)18-6-4-17-5-7-18/h2-3,11,17H,4-8H2,1H3/t11-/m0/s1
InChIKeyVRMRNLWRRASXEK-NSHDSACASA-N
MW258.29 g/mol
LogP2.19
Rot. Bonds3

About 1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine

1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine (PubChem CID 171182650) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine
PubChem CID171182650
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine
SMILESCc1ccc([C@H](CF)N2CCNCC2)c(F)c1F
InChIInChI=1S/C13H17F3N2/c1-9-2-3-10(13(16)12(9)15)11(8-14)18-6-4-17-5-7-18/h2-3,11,17H,4-8H2,1H3/t11-/m0/s1
InChIKeyVRMRNLWRRASXEK-NSHDSACASA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171171999
1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171277985
(3S)-3-(2,3-difluoro-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174730
1-[(1S)-1-(2,3-difluoro-4-methylphenyl)ethyl]piperazine;hydrochloride
CID 171166576
1-[(1S)-1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylpropyl]piperazine
CID 171166689
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine
CID 171182419
1-[(1S)-1-(2,3-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181800
1-[(1S)-1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171166690
1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine
CID 171170223
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;hydrochloride
CID 171182420
1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182531
1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-methylpentyl]piperazine
CID 171171984

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine (CID 171182650) is 1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine is Cc1ccc([C@H](CF)N2CCNCC2)c(F)c1F.
What is the InChIKey of 1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine?
The InChIKey is VRMRNLWRRASXEK-NSHDSACASA-N. The full InChI is InChI=1S/C13H17F3N2/c1-9-2-3-10(13(16)12(9)15)11(8-14)18-6-4-17-5-7-18/h2-3,11,17H,4-8H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine?
1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine has a molecular weight of 258.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine is sourced from PubChem (CID 171182650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).