1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine

C15H23F2N3 — CID 83011438

IUPAC1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
SMILESCC1CCCC(C)N1NC(CN)c1cccc(F)c1F
InChIInChI=1S/C15H23F2N3/c1-10-5-3-6-11(2)20(10)19-14(9-18)12-7-4-8-13(16)15(12)17/h4,7-8,10-11,14,19H,3,5-6,9,18H2,1-2H3
InChIKeyLMOWEVFXWUYOJG-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.73
Rot. Bonds4

About 1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine

1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine (PubChem CID 83011438) has the molecular formula C15H23F2N3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
PubChem CID83011438
Molecular FormulaC15H23F2N3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
SMILESCC1CCCC(C)N1NC(CN)c1cccc(F)c1F
InChIInChI=1S/C15H23F2N3/c1-10-5-3-6-11(2)20(10)19-14(9-18)12-7-4-8-13(16)15(12)17/h4,7-8,10-11,14,19H,3,5-6,9,18H2,1-2H3
InChIKeyLMOWEVFXWUYOJG-UHFFFAOYSA-N
XLogP2.73
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 55233922
2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 63667059
1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83011963
N-[1-(3-fluorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 114871776
[2-cyclopentyl-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105299116
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 65319085
1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83010618
1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 65379273
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
1-(2,3-difluorophenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65378631
2-(2,3-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 63669105
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 63669450

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine (CID 83011438) is 1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine is CC1CCCC(C)N1NC(CN)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine?
The InChIKey is LMOWEVFXWUYOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3/c1-10-5-3-6-11(2)20(10)19-14(9-18)12-7-4-8-13(16)15(12)17/h4,7-8,10-11,14,19H,3,5-6,9,18H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine?
1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine has a molecular weight of 283.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 83011438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).