(2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine

C13H18F2N2 — CID 176723386

IUPAC(2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine
SMILESCc1cc(F)c(N2CCN(C)C[C@H]2C)cc1F
InChIInChI=1S/C13H18F2N2/c1-9-6-12(15)13(7-11(9)14)17-5-4-16(3)8-10(17)2/h6-7,10H,4-5,8H2,1-3H3/t10-/m1/s1
InChIKeyUAAQDVDGOZENHD-SNVBAGLBSA-N
MW240.30 g/mol
LogP2.41
Rot. Bonds1

About (2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine

(2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine (PubChem CID 176723386) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine
PubChem CID176723386
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine
SMILESCc1cc(F)c(N2CCN(C)C[C@H]2C)cc1F
InChIInChI=1S/C13H18F2N2/c1-9-6-12(15)13(7-11(9)14)17-5-4-16(3)8-10(17)2/h6-7,10H,4-5,8H2,1-3H3/t10-/m1/s1
InChIKeyUAAQDVDGOZENHD-SNVBAGLBSA-N
XLogP2.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine
CID 177274253
1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine
CID 103587648
2-amino-5-(2,4-dimethylpiperazin-1-yl)-4-fluorobenzoic acid
CID 114087285
1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine
CID 103587633
1-(2,5-difluoro-4-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 103586219
[4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine
CID 114086254
(1R)-1-[2-(2,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
CID 114087415
(2S)-1-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethylpiperazine
CID 58938270
1-cyclopropyl-7-(2,4-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 70465872
(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 113233774
4-(2,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 114087919
5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine
CID 103587634

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine?
The IUPAC name of (2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine (CID 176723386) is (2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine.
What is the SMILES notation for (2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine?
The canonical SMILES for (2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine is Cc1cc(F)c(N2CCN(C)C[C@H]2C)cc1F.
What is the InChIKey of (2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine?
The InChIKey is UAAQDVDGOZENHD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-9-6-12(15)13(7-11(9)14)17-5-4-16(3)8-10(17)2/h6-7,10H,4-5,8H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine?
(2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine has a molecular weight of 240.30 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine is sourced from PubChem (CID 176723386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).