(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine

C14H21FN2O — CID 78935771

IUPAC(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
SMILESCOC1CCN(c2ccc(F)cc2[C@H](C)N)CC1
InChIInChI=1S/C14H21FN2O/c1-10(16)13-9-11(15)3-4-14(13)17-7-5-12(18-2)6-8-17/h3-4,9-10,12H,5-8,16H2,1-2H3/t10-/m0/s1
InChIKeyWRFQEXIAHMCGAQ-JTQLQIEISA-N
MW252.33 g/mol
LogP2.46
Rot. Bonds3

About (1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine

(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine (PubChem CID 78935771) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
PubChem CID78935771
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
SMILESCOC1CCN(c2ccc(F)cc2[C@H](C)N)CC1
InChIInChI=1S/C14H21FN2O/c1-10(16)13-9-11(15)3-4-14(13)17-7-5-12(18-2)6-8-17/h3-4,9-10,12H,5-8,16H2,1-2H3/t10-/m0/s1
InChIKeyWRFQEXIAHMCGAQ-JTQLQIEISA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine 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

(1R)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 55183365
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163789
[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate
CID 175174279
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587289
(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 63368739
(1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
CID 63368809
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937427
1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone
CID 43216546

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine (CID 78935771) is (1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine is COC1CCN(c2ccc(F)cc2[C@H](C)N)CC1.
What is the InChIKey of (1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine?
The InChIKey is WRFQEXIAHMCGAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(16)13-9-11(15)3-4-14(13)17-7-5-12(18-2)6-8-17/h3-4,9-10,12H,5-8,16H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine?
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine has a molecular weight of 252.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78935771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).