3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one

C15H22N2O3 — CID 102954849

IUPAC3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCOc2ccccc2N)CC1O
InChIInChI=1S/C15H22N2O3/c1-11-6-8-17(10-13(11)18)15(19)7-9-20-14-5-3-2-4-12(14)16/h2-5,11,13,18H,6-10,16H2,1H3
InChIKeySHUQPLULOFVQTQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.27
Rot. Bonds4

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

3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one (PubChem CID 102954849) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
PubChem CID102954849
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCOc2ccccc2N)CC1O
InChIInChI=1S/C15H22N2O3/c1-11-6-8-17(10-13(11)18)15(19)7-9-20-14-5-3-2-4-12(14)16/h2-5,11,13,18H,6-10,16H2,1H3
InChIKeySHUQPLULOFVQTQ-UHFFFAOYSA-N
XLogP1.27
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.27
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

3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94895206
3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107211694
3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one
CID 102955034
3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 62199061
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
(2-amino-6-ethoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954877
2-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 102957824
3-(2-aminophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 61094127
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one
CID 102958903
methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate
CID 84551777
4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile
CID 79663625
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one (CID 102954849) is 3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)CCOc2ccccc2N)CC1O.
What is the InChIKey of 3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is SHUQPLULOFVQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-6-8-17(10-13(11)18)15(19)7-9-20-14-5-3-2-4-12(14)16/h2-5,11,13,18H,6-10,16H2,1H3.
What are the key properties of 3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 102954849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).