2-(2,5-difluorophenyl)-1,4-dimethylpiperazine

C12H16F2N2 — CID 116856393

IUPAC2-(2,5-difluorophenyl)-1,4-dimethylpiperazine
SMILESCN1CCN(C)C(c2cc(F)ccc2F)C1
InChIInChI=1S/C12H16F2N2/c1-15-5-6-16(2)12(8-15)10-7-9(13)3-4-11(10)14/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyCKWAEPUNGBNPFK-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.88
Rot. Bonds1

About 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine

2-(2,5-difluorophenyl)-1,4-dimethylpiperazine (PubChem CID 116856393) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1,4-dimethylpiperazine
PubChem CID116856393
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name2-(2,5-difluorophenyl)-1,4-dimethylpiperazine
SMILESCN1CCN(C)C(c2cc(F)ccc2F)C1
InChIInChI=1S/C12H16F2N2/c1-15-5-6-16(2)12(8-15)10-7-9(13)3-4-11(10)14/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyCKWAEPUNGBNPFK-UHFFFAOYSA-N
XLogP1.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-1-methylazetidine
CID 68991011
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 129068214
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
(3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol
CID 158694292
[2-(2,5-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247218
1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 79659009
[1-(2,5-difluorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105260174
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
methyl 3-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]propanoate
CID 97240020
(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 79658920
[3-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methanone
CID 163972356

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine?
The IUPAC name of 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine (CID 116856393) is 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine is CN1CCN(C)C(c2cc(F)ccc2F)C1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine?
The InChIKey is CKWAEPUNGBNPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-15-5-6-16(2)12(8-15)10-7-9(13)3-4-11(10)14/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine?
2-(2,5-difluorophenyl)-1,4-dimethylpiperazine has a molecular weight of 226.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine is sourced from PubChem (CID 116856393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).