1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine

C15H23F2N3 — CID 114932554

IUPAC1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
SMILESCN1CCN(C)C(CC(N)Cc2c(F)cccc2F)C1
InChIInChI=1S/C15H23F2N3/c1-19-6-7-20(2)12(10-19)8-11(18)9-13-14(16)4-3-5-15(13)17/h3-5,11-12H,6-10,18H2,1-2H3
InChIKeyNEIOPFJRKOIPFZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.47
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine

1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine (PubChem CID 114932554) has the molecular formula C15H23F2N3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
PubChem CID114932554
Molecular FormulaC15H23F2N3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
SMILESCN1CCN(C)C(CC(N)Cc2c(F)cccc2F)C1
InChIInChI=1S/C15H23F2N3/c1-19-6-7-20(2)12(10-19)8-11(18)9-13-14(16)4-3-5-15(13)17/h3-5,11-12H,6-10,18H2,1-2H3
InChIKeyNEIOPFJRKOIPFZ-UHFFFAOYSA-N
XLogP1.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine 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-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415115
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583
[1-(2,3-difluorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105260157
1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 115414992
1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415031
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
CID 82923377
1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 115415255
1-(1,4-dimethylpiperazin-2-yl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-amine
CID 115415163
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 106762883
[2-(2,6-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261363
2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
CID 115415177

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine (CID 114932554) is 1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine is CN1CCN(C)C(CC(N)Cc2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
The InChIKey is NEIOPFJRKOIPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3/c1-19-6-7-20(2)12(10-19)8-11(18)9-13-14(16)4-3-5-15(13)17/h3-5,11-12H,6-10,18H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine has a molecular weight of 283.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine is sourced from PubChem (CID 114932554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).