[2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone

C12H16FN3O3 — CID 172563832

IUPAC[2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1cc(ONF)ccc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C12H16FN3O3/c13-15-19-9-1-2-10(11(14)7-9)12(18)16-5-3-8(17)4-6-16/h1-2,7-8,15,17H,3-6,14H2
InChIKeyZAOXFLYHHVQFOX-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.63
Rot. Bonds3

About [2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone

[2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 172563832) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is [2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID172563832
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name[2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1cc(ONF)ccc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C12H16FN3O3/c13-15-19-9-1-2-10(11(14)7-9)12(18)16-5-3-8(17)4-6-16/h1-2,7-8,15,17H,3-6,14H2
InChIKeyZAOXFLYHHVQFOX-UHFFFAOYSA-N
XLogP0.63
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 172563826
(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678357
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263
(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 58736577
(6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 103542769
(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 115413350
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[(12S)-4-fluoro-12-hydroxy-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl]piperidin-1-yl]methanone
CID 177182958
(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone
CID 110464956
(4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 43630038
(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 16789345
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119945105

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 172563832) is [2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone is Nc1cc(ONF)ccc1C(=O)N1CCC(O)CC1.
What is the InChIKey of [2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is ZAOXFLYHHVQFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c13-15-19-9-1-2-10(11(14)7-9)12(18)16-5-3-8(17)4-6-16/h1-2,7-8,15,17H,3-6,14H2.
What are the key properties of [2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone?
[2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 269.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 172563832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).