4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline

C13H19FN2 — CID 62124073

IUPAC4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline
SMILESCC1CCCN(c2ccc(N)cc2F)C1C
InChIInChI=1S/C13H19FN2/c1-9-4-3-7-16(10(9)2)13-6-5-11(15)8-12(13)14/h5-6,8-10H,3-4,7,15H2,1-2H3
InChIKeyKIAKMLGOEULHCJ-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.03
Rot. Bonds1

About 4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline

4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline (PubChem CID 62124073) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline
PubChem CID62124073
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline
SMILESCC1CCCN(c2ccc(N)cc2F)C1C
InChIInChI=1S/C13H19FN2/c1-9-4-3-7-16(10(9)2)13-6-5-11(15)8-12(13)14/h5-6,8-10H,3-4,7,15H2,1-2H3
InChIKeyKIAKMLGOEULHCJ-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline 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

2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 63783591
(1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 78935591
4-(2,3-dimethylpiperidin-1-yl)-3-fluorobenzenecarbothioamide
CID 62123242
5-amino-2-(2,3-dimethylpiperidin-1-yl)benzonitrile
CID 55040516
4-bromo-2-(2,3-dimethylpiperidin-1-yl)-5-fluoroaniline
CID 116735820
1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 62124442
(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 55190676
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
3-fluoro-4-[(3S)-3-methylpiperidin-1-yl]aniline
CID 28664912
4-[2-(chloromethyl)piperidin-1-yl]-3-fluoroaniline
CID 141469083
5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde
CID 114844232
(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 55184859

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline?
The IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline (CID 62124073) is 4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline.
What is the SMILES notation for 4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline?
The canonical SMILES for 4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline is CC1CCCN(c2ccc(N)cc2F)C1C.
What is the InChIKey of 4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline?
The InChIKey is KIAKMLGOEULHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9-4-3-7-16(10(9)2)13-6-5-11(15)8-12(13)14/h5-6,8-10H,3-4,7,15H2,1-2H3.
What are the key properties of 4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline?
4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline has a molecular weight of 222.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline is sourced from PubChem (CID 62124073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).