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

C10H18N2O2 — CID 104930760

IUPAC1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C10H18N2O2/c1-3-4-10(13)12-6-5-9(11-14)8(2)7-12/h8,14H,3-7H2,1-2H3
InChIKeyBHSHTMKRZPHYRG-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.49
Rot. Bonds2

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

1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one (PubChem CID 104930760) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one
PubChem CID104930760
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C10H18N2O2/c1-3-4-10(13)12-6-5-9(11-14)8(2)7-12/h8,14H,3-7H2,1-2H3
InChIKeyBHSHTMKRZPHYRG-UHFFFAOYSA-N
XLogP1.49
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-methoxypropan-1-one
CID 104930793
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-(3-ethyl-4-hydroxyiminopiperidin-1-yl)octan-1-one
CID 104931312
1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone
CID 114500853
(4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 104930803
2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone
CID 114500701
3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 104931309
(2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500832
7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone
CID 104930843
N-(1-decyl-3-methylpiperidin-4-ylidene)hydroxylamine
CID 104931044
(3,4-dihydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 107728447

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one (CID 104930760) is 1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one is CCCC(=O)N1CCC(=NO)C(C)C1.
What is the InChIKey of 1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one?
The InChIKey is BHSHTMKRZPHYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-4-10(13)12-6-5-9(11-14)8(2)7-12/h8,14H,3-7H2,1-2H3.
What are the key properties of 1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one?
1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one has a molecular weight of 198.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 104930760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).