1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine

C16H25FN2O — CID 106589034

IUPAC1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
SMILESCOCC1CCCN(CCC(N)c2cccc(F)c2)C1
InChIInChI=1S/C16H25FN2O/c1-20-12-13-4-3-8-19(11-13)9-7-16(18)14-5-2-6-15(17)10-14/h2,5-6,10,13,16H,3-4,7-9,11-12,18H2,1H3
InChIKeyGNRBCRPPTZFXOZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.57
Rot. Bonds6

About 1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine

1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine (PubChem CID 106589034) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
PubChem CID106589034
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
SMILESCOCC1CCCN(CCC(N)c2cccc(F)c2)C1
InChIInChI=1S/C16H25FN2O/c1-20-12-13-4-3-8-19(11-13)9-7-16(18)14-5-2-6-15(17)10-14/h2,5-6,10,13,16H,3-4,7-9,11-12,18H2,1H3
InChIKeyGNRBCRPPTZFXOZ-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-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

3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(3-fluorophenyl)propan-1-amine
CID 63151563
1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218
1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589024
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(3-fluorophenyl)propan-1-amine
CID 62643280
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
CID 62643133
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 63972223
1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine
CID 64570224
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 107522241
1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81114930
3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine
CID 62774063
1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 107521219

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine (CID 106589034) is 1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine is COCC1CCCN(CCC(N)c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is GNRBCRPPTZFXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-20-12-13-4-3-8-19(11-13)9-7-16(18)14-5-2-6-15(17)10-14/h2,5-6,10,13,16H,3-4,7-9,11-12,18H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine?
1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 106589034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).