1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine

C16H25FN2O2 — CID 107522241

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCCN(CC(N)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H25FN2O2/c1-20-11-12-4-3-7-19(9-12)10-15(18)13-5-6-16(21-2)14(17)8-13/h5-6,8,12,15H,3-4,7,9-11,18H2,1-2H3
InChIKeyOGFSTTCSQYOBBK-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.19
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine

1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 107522241) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
PubChem CID107522241
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCCN(CC(N)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H25FN2O2/c1-20-11-12-4-3-7-19(9-12)10-15(18)13-5-6-16(21-2)14(17)8-13/h5-6,8,12,15H,3-4,7,9-11,18H2,1-2H3
InChIKeyOGFSTTCSQYOBBK-UHFFFAOYSA-N
XLogP2.19
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 107521976
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107521195
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107522093
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589034
1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973652
2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107522052
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
CID 106586078
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine (CID 107522241) is 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine is COCC1CCCN(CC(N)c2ccc(OC)c(F)c2)C1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is OGFSTTCSQYOBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-20-11-12-4-3-7-19(9-12)10-15(18)13-5-6-16(21-2)14(17)8-13/h5-6,8,12,15H,3-4,7,9-11,18H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 296.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 107522241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).