(4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone

C14H24N2O2 — CID 104930803

IUPAC(4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC(=NO)C(C)C2)CC1
InChIInChI=1S/C14H24N2O2/c1-10-3-5-12(6-4-10)14(17)16-8-7-13(15-18)11(2)9-16/h10-12,18H,3-9H2,1-2H3
InChIKeyNBRZQLYCXLWADL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.51
Rot. Bonds1

About (4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone

(4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone (PubChem CID 104930803) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone
PubChem CID104930803
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC(=NO)C(C)C2)CC1
InChIInChI=1S/C14H24N2O2/c1-10-3-5-12(6-4-10)14(17)16-8-7-13(15-18)11(2)9-16/h10-12,18H,3-9H2,1-2H3
InChIKeyNBRZQLYCXLWADL-UHFFFAOYSA-N
XLogP2.51
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.51
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

7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone
CID 104930843
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126803
1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one
CID 104930760
(4-hydroxyimino-3-methylpiperidin-1-yl)-(thian-2-yl)methanone
CID 104930782
N-(1,3-dimethylpiperidin-4-ylidene)hydroxylamine
CID 3325353
1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone
CID 107939252
1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one
CID 104930793
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103118431
1-(cyclohexanecarbonyl)-3-methylpiperidin-4-one
CID 114499917
(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 95933340
(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

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone (CID 104930803) is (4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CCC(=NO)C(C)C2)CC1.
What is the InChIKey of (4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone?
The InChIKey is NBRZQLYCXLWADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-3-5-12(6-4-10)14(17)16-8-7-13(15-18)11(2)9-16/h10-12,18H,3-9H2,1-2H3.
What are the key properties of (4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone?
(4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone has a molecular weight of 252.36 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 104930803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).