1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one

C10H18N2O3 — CID 104930793

IUPAC1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C10H18N2O3/c1-8-7-12(5-3-9(8)11-14)10(13)4-6-15-2/h8,14H,3-7H2,1-2H3
InChIKeyGCATTXPGHKATLJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.72
Rot. Bonds3

About 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one

1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one (PubChem CID 104930793) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one
PubChem CID104930793
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C10H18N2O3/c1-8-7-12(5-3-9(8)11-14)10(13)4-6-15-2/h8,14H,3-7H2,1-2H3
InChIKeyGCATTXPGHKATLJ-UHFFFAOYSA-N
XLogP0.72
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one
CID 104930760
1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone
CID 107939252
3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one
CID 104930829
1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone
CID 114500853
(5-bromothiophen-3-yl)-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone
CID 107962412
1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one
CID 106671129
3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 104931309
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
(3,4-dihydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 107728447
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 114500732
N-(1,3-dimethylpiperidin-4-ylidene)hydroxylamine
CID 3325353
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one?
The IUPAC name of 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one (CID 104930793) is 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one is COCCC(=O)N1CCC(=NO)C(C)C1.
What is the InChIKey of 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one?
The InChIKey is GCATTXPGHKATLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8-7-12(5-3-9(8)11-14)10(13)4-6-15-2/h8,14H,3-7H2,1-2H3.
What are the key properties of 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one?
1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one has a molecular weight of 214.26 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 104930793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).