1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine

C13H18F2N2 — CID 83989825

IUPAC1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine
SMILESCNC1CC(C)CN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H18F2N2/c1-9-5-10(16-2)8-17(7-9)11-3-4-12(14)13(15)6-11/h3-4,6,9-10,16H,5,7-8H2,1-2H3
InChIKeyKAPNOHHBAWNBNI-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.40
Rot. Bonds2

About 1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine

1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine (PubChem CID 83989825) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine
PubChem CID83989825
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine
SMILESCNC1CC(C)CN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H18F2N2/c1-9-5-10(16-2)8-17(7-9)11-3-4-12(14)13(15)6-11/h3-4,6,9-10,16H,5,7-8H2,1-2H3
InChIKeyKAPNOHHBAWNBNI-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997239
1-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 117002912
1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995167
1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine
CID 83991093
N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine
CID 83993084
(3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione
CID 29101458
3,4-difluoro-N-(3-methylcyclobutyl)aniline
CID 104860122
N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542322
N-cyclopropyl-5-methyl-1-(3-methylphenyl)piperidin-3-amine
CID 83991728
N-(cyclopentylmethyl)-1-(3-fluorophenyl)-5-methylpiperidin-3-amine
CID 83997928
N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide
CID 112542777
N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83991736

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine (CID 83989825) is 1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine is CNC1CC(C)CN(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine?
The InChIKey is KAPNOHHBAWNBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-9-5-10(16-2)8-17(7-9)11-3-4-12(14)13(15)6-11/h3-4,6,9-10,16H,5,7-8H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine?
1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine has a molecular weight of 240.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine is sourced from PubChem (CID 83989825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).