1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine

C14H20F2N2 — CID 171282246

IUPAC1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine
SMILESCc1ccc([C@H](C(F)F)N2CCNCC2)c(C)c1
InChIInChI=1S/C14H20F2N2/c1-10-3-4-12(11(2)9-10)13(14(15)16)18-7-5-17-6-8-18/h3-4,9,13-14,17H,5-8H2,1-2H3/t13-/m1/s1
InChIKeyOJIOPTUWNDHJEO-CYBMUJFWSA-N
MW254.32 g/mol
LogP2.51
Rot. Bonds3

About 1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine

1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine (PubChem CID 171282246) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine
PubChem CID171282246
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine
SMILESCc1ccc([C@H](C(F)F)N2CCNCC2)c(C)c1
InChIInChI=1S/C14H20F2N2/c1-10-3-4-12(11(2)9-10)13(14(15)16)18-7-5-17-6-8-18/h3-4,9,13-14,17H,5-8H2,1-2H3/t13-/m1/s1
InChIKeyOJIOPTUWNDHJEO-CYBMUJFWSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-5-methylphenol
CID 171281738
1-[(1S)-2,2-difluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171289543
1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171281539
1-[(1S)-1-(2,4-dimethylphenyl)butyl]piperazine;dihydrochloride
CID 171282259
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271
1-[(1S)-1-(3,5-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 171288145
2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid
CID 54890187
(2S)-2-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183158
(3S)-3-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 95459507
1-[(2,4-difluorophenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane
CID 5130926
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171276068
1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171288489

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine (CID 171282246) is 1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine is Cc1ccc([C@H](C(F)F)N2CCNCC2)c(C)c1.
What is the InChIKey of 1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine?
The InChIKey is OJIOPTUWNDHJEO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10-3-4-12(11(2)9-10)13(14(15)16)18-7-5-17-6-8-18/h3-4,9,13-14,17H,5-8H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine?
1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine has a molecular weight of 254.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine is sourced from PubChem (CID 171282246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).