1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine

C15H23FN2O — CID 102959097

IUPAC1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1N1CCCC(OC)C1
InChIInChI=1S/C15H23FN2O/c1-11(17-2)14-9-12(16)6-7-15(14)18-8-4-5-13(10-18)19-3/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3
InChIKeyNGQINKBJOMNBKU-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.72
Rot. Bonds4

About 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine

1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine (PubChem CID 102959097) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine
PubChem CID102959097
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1N1CCCC(OC)C1
InChIInChI=1S/C15H23FN2O/c1-11(17-2)14-9-12(16)6-7-15(14)18-8-4-5-13(10-18)19-3/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3
InChIKeyNGQINKBJOMNBKU-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 102968817
1-[2-(3,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylethanamine
CID 79188631
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
CID 102968801
1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine
CID 63534160
(1R)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 55183365
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587289
(1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
CID 78939196
(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine
CID 102959105
5-fluoro-2-(3-methoxypyrrolidin-1-yl)benzonitrile
CID 103533377
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine (CID 102959097) is 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine is CNC(C)c1cc(F)ccc1N1CCCC(OC)C1.
What is the InChIKey of 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine?
The InChIKey is NGQINKBJOMNBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(17-2)14-9-12(16)6-7-15(14)18-8-4-5-13(10-18)19-3/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine?
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 102959097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).