2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one

C16H24N2O2 — CID 133164884

IUPAC2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)Oc2cccc(N)c2)C1
InChIInChI=1S/C16H24N2O2/c1-11-7-12(2)10-18(9-11)16(19)13(3)20-15-6-4-5-14(17)8-15/h4-6,8,11-13H,7,9-10,17H2,1-3H3
InChIKeyYKODORSBRGIQSK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.54
Rot. Bonds3

About 2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one

2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one (PubChem CID 133164884) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
PubChem CID133164884
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)Oc2cccc(N)c2)C1
InChIInChI=1S/C16H24N2O2/c1-11-7-12(2)10-18(9-11)16(19)13(3)20-15-6-4-5-14(17)8-15/h4-6,8,11-13H,7,9-10,17H2,1-3H3
InChIKeyYKODORSBRGIQSK-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-aminophenoxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 100616662
(2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
CID 100616782
1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 79994536
(2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 100616621
2-(3-aminophenoxy)propanamide
CID 43115971
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16795093
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
2-(3-aminophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 28689676
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one
CID 2930941
2-[3-(1-aminoethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 43116396

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one (CID 133164884) is 2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one is CC1CC(C)CN(C(=O)C(C)Oc2cccc(N)c2)C1.
What is the InChIKey of 2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one?
The InChIKey is YKODORSBRGIQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-7-12(2)10-18(9-11)16(19)13(3)20-15-6-4-5-14(17)8-15/h4-6,8,11-13H,7,9-10,17H2,1-3H3.
What are the key properties of 2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one?
2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 133164884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).