1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane

C14H22F2N2 — CID 177032628

IUPAC1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane
SMILESCC.Cc1c(F)cc(N2CCN(C)CC2)cc1F
InChIInChI=1S/C12H16F2N2.C2H6/c1-9-11(13)7-10(8-12(9)14)16-5-3-15(2)4-6-16;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyXBZHAPXYNVZNDH-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.05
Rot. Bonds1

About 1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane

1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane (PubChem CID 177032628) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane.

Molecular Properties

Compound Name1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane
PubChem CID177032628
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane
SMILESCC.Cc1c(F)cc(N2CCN(C)CC2)cc1F
InChIInChI=1S/C12H16F2N2.C2H6/c1-9-11(13)7-10(8-12(9)14)16-5-3-15(2)4-6-16;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyXBZHAPXYNVZNDH-UHFFFAOYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
CID 70652464
ethane;1-(3-fluoro-4,5-dimethylphenyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 177032787
ethane;5-fluoro-3-(4-methylphenyl)-7-(4-methylpiperazin-1-yl)chromen-2-one
CID 170703450
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
2-bromo-6-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 106701518
1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine
CID 163230338
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
1-(3,4,5-trifluorophenyl)pyrrolidine
CID 67937065
1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine
CID 134166790
2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol
CID 59447679
ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine
CID 91588083
1-(4-bromo-3,5-difluorophenyl)azetidine
CID 130941989

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane?
The IUPAC name of 1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane (CID 177032628) is 1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane.
What is the SMILES notation for 1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane?
The canonical SMILES for 1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane is CC.Cc1c(F)cc(N2CCN(C)CC2)cc1F.
What is the InChIKey of 1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane?
The InChIKey is XBZHAPXYNVZNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2.C2H6/c1-9-11(13)7-10(8-12(9)14)16-5-3-15(2)4-6-16;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of 1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane?
1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane has a molecular weight of 256.34 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane is sourced from PubChem (CID 177032628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).