1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine

C14H21FN2O — CID 119919442

IUPAC1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(CCOc2cccc(F)c2)C1
InChIInChI=1S/C14H21FN2O/c1-16-13-5-3-7-17(11-13)8-9-18-14-6-2-4-12(15)10-14/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3
InChIKeyGTUNSBLEGGBQAY-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.89
Rot. Bonds5

About 1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine

1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine (PubChem CID 119919442) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
PubChem CID119919442
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(CCOc2cccc(F)c2)C1
InChIInChI=1S/C14H21FN2O/c1-16-13-5-3-7-17(11-13)8-9-18-14-6-2-4-12(15)10-14/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3
InChIKeyGTUNSBLEGGBQAY-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine 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-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
CID 46444102
2-[2-(3-methylphenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235633
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695
(3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 887526
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one
CID 128972108
1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine
CID 62545645
4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119563084
2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol
CID 94409239
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
CID 43575244
1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95325298

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine (CID 119919442) is 1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine is CNC1CCCN(CCOc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine?
The InChIKey is GTUNSBLEGGBQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-13-5-3-7-17(11-13)8-9-18-14-6-2-4-12(15)10-14/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3.
What are the key properties of 1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine?
1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine has a molecular weight of 252.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 119919442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).