3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one

C14H20N2O3 — CID 107211694

IUPAC3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
SMILESNc1ccccc1OCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C14H20N2O3/c15-12-5-1-2-6-13(12)19-9-7-14(18)16-8-3-4-11(17)10-16/h1-2,5-6,11,17H,3-4,7-10,15H2/t11-/m0/s1
InChIKeyDJWQUPHGODIYRF-NSHDSACASA-N
MW264.32 g/mol
LogP1.02
Rot. Bonds4

About 3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one

3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one (PubChem CID 107211694) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
PubChem CID107211694
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
SMILESNc1ccccc1OCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C14H20N2O3/c15-12-5-1-2-6-13(12)19-9-7-14(18)16-8-3-4-11(17)10-16/h1-2,5-6,11,17H,3-4,7-10,15H2/t11-/m0/s1
InChIKeyDJWQUPHGODIYRF-NSHDSACASA-N
XLogP1.02
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.02
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-(3-methoxypiperidin-1-yl)propan-1-one
CID 102955034
3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 102954849
3-(2-aminophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 61094127
1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 124593466
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279
2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide
CID 107224218
3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 62199061
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-aminophenoxy)propan-1-one
CID 82751602
2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390712
3-(3,4-dichlorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107224162

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one (CID 107211694) is 3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one is Nc1ccccc1OCCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
The InChIKey is DJWQUPHGODIYRF-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-5-1-2-6-13(12)19-9-7-14(18)16-8-3-4-11(17)10-16/h1-2,5-6,11,17H,3-4,7-10,15H2/t11-/m0/s1.
What are the key properties of 3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one has a molecular weight of 264.32 g/mol, XLogP of 1.02, 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-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 107211694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).