[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine

C14H21FN2O — CID 61216671

IUPAC[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine
SMILESCCOC1CCN(c2ccc(F)cc2CN)CC1
InChIInChI=1S/C14H21FN2O/c1-2-18-13-5-7-17(8-6-13)14-4-3-12(15)9-11(14)10-16/h3-4,9,13H,2,5-8,10,16H2,1H3
InChIKeyMDAAIDJEMASBNJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.29
Rot. Bonds4

About [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine

[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine (PubChem CID 61216671) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine
PubChem CID61216671
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine
SMILESCCOC1CCN(c2ccc(F)cc2CN)CC1
InChIInChI=1S/C14H21FN2O/c1-2-18-13-5-7-17(8-6-13)14-4-3-12(15)9-11(14)10-16/h3-4,9,13H,2,5-8,10,16H2,1H3
InChIKeyMDAAIDJEMASBNJ-UHFFFAOYSA-N
XLogP2.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine (CID 61216671) is [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine is CCOC1CCN(c2ccc(F)cc2CN)CC1.
What is the InChIKey of [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine?
The InChIKey is MDAAIDJEMASBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-18-13-5-7-17(8-6-13)14-4-3-12(15)9-11(14)10-16/h3-4,9,13H,2,5-8,10,16H2,1H3.
What are the key properties of [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine?
[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 61216671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).