2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone

C14H20N2O3 — CID 114677451

IUPAC2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)COc2cccc(N)c2)CCC1O
InChIInChI=1S/C14H20N2O3/c1-10-8-16(6-5-13(10)17)14(18)9-19-12-4-2-3-11(15)7-12/h2-4,7,10,13,17H,5-6,8-9,15H2,1H3
InChIKeyNXLWFCGPHMJHHU-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.88
Rot. Bonds3

About 2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone

2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 114677451) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
PubChem CID114677451
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)COc2cccc(N)c2)CCC1O
InChIInChI=1S/C14H20N2O3/c1-10-8-16(6-5-13(10)17)14(18)9-19-12-4-2-3-11(15)7-12/h2-4,7,10,13,17H,5-6,8-9,15H2,1H3
InChIKeyNXLWFCGPHMJHHU-UHFFFAOYSA-N
XLogP0.88
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107209920
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-aminophenoxy)ethanone
CID 61109614
2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123166
1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114677878
1-(4-chloro-3-methylpiperidin-1-yl)-2-(3-chlorophenoxy)ethanone
CID 114683193
tert-butyl 4-[2-(3-aminophenoxy)acetyl]piperazine-1-carboxylate
CID 58795972
2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61095265
1-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 155499186
3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 61090343
2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66262044
2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 61103114
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
CID 66262261

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (CID 114677451) is 2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is CC1CN(C(=O)COc2cccc(N)c2)CCC1O.
What is the InChIKey of 2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is NXLWFCGPHMJHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-8-16(6-5-13(10)17)14(18)9-19-12-4-2-3-11(15)7-12/h2-4,7,10,13,17H,5-6,8-9,15H2,1H3.
What are the key properties of 2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 264.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 114677451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).