2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine

C15H23FN2O2 — CID 65096664

IUPAC2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCC(OC)CC2)cc1F
InChIInChI=1S/C15H23FN2O2/c1-19-12-5-7-18(8-6-12)14(10-17)11-3-4-15(20-2)13(16)9-11/h3-4,9,12,14H,5-8,10,17H2,1-2H3
InChIKeyAUXCRGOINHPIGG-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.94
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine

2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine (PubChem CID 65096664) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine
PubChem CID65096664
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCC(OC)CC2)cc1F
InChIInChI=1S/C15H23FN2O2/c1-19-12-5-7-18(8-6-12)14(10-17)11-3-4-15(20-2)13(16)9-11/h3-4,9,12,14H,5-8,10,17H2,1-2H3
InChIKeyAUXCRGOINHPIGG-UHFFFAOYSA-N
XLogP1.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531609
2-(3,4-dimethylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65096479
2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine
CID 115526779
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65319130
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 82752173
2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 83973600
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
1-[(1R)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine
CID 171168840
2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973443
2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964877
2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 81436946
1-[(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182335

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine (CID 65096664) is 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine is COc1ccc(C(CN)N2CCC(OC)CC2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine?
The InChIKey is AUXCRGOINHPIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-19-12-5-7-18(8-6-12)14(10-17)11-3-4-15(20-2)13(16)9-11/h3-4,9,12,14H,5-8,10,17H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine?
2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine has a molecular weight of 282.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 65096664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).