1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine

C15H23F2N3 — CID 107520814

IUPAC1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCN1CCCC(N(C)CC(N)c2cc(F)ccc2F)C1
InChIInChI=1S/C15H23F2N3/c1-19-7-3-4-12(9-19)20(2)10-15(18)13-8-11(16)5-6-14(13)17/h5-6,8,12,15H,3-4,7,9-10,18H2,1-2H3
InChIKeyCRCVRBUXFXURIL-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.99
Rot. Bonds4

About 1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine

1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine (PubChem CID 107520814) has the molecular formula C15H23F2N3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
PubChem CID107520814
Molecular FormulaC15H23F2N3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCN1CCCC(N(C)CC(N)c2cc(F)ccc2F)C1
InChIInChI=1S/C15H23F2N3/c1-19-7-3-4-12(9-19)20(2)10-15(18)13-8-11(16)5-6-14(13)17/h5-6,8,12,15H,3-4,7,9-10,18H2,1-2H3
InChIKeyCRCVRBUXFXURIL-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine 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-(2,5-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545345
1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545528
1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62546580
N'-methyl-N'-(1-methylpiperidin-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287822
1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547329
1-(2,4-difluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 107521151
1-(2,5-difluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 107521297
N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519713
1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16786319
N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107520835
1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62545323
1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol
CID 62631209

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine (CID 107520814) is 1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine is CN1CCCC(N(C)CC(N)c2cc(F)ccc2F)C1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The InChIKey is CRCVRBUXFXURIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3/c1-19-7-3-4-12(9-19)20(2)10-15(18)13-8-11(16)5-6-14(13)17/h5-6,8,12,15H,3-4,7,9-10,18H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine has a molecular weight of 283.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107520814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).