1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one

C17H22N2O2 — CID 3512009

IUPAC1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one
SMILESCC(C)(C)N1C(=O)CC(=NO)CC1C=Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)19-15(11-14(18-21)12-16(19)20)10-9-13-7-5-4-6-8-13/h4-10,15,21H,11-12H2,1-3H3
InChIKeyAMAVFPPTRZCOSJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.32
Rot. Bonds2

About 1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one

1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one (PubChem CID 3512009) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one
PubChem CID3512009
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one
SMILESCC(C)(C)N1C(=O)CC(=NO)CC1C=Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)19-15(11-14(18-21)12-16(19)20)10-9-13-7-5-4-6-8-13/h4-10,15,21H,11-12H2,1-3H3
InChIKeyAMAVFPPTRZCOSJ-UHFFFAOYSA-N
XLogP3.32
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.32
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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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one?
The IUPAC name of 1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one (CID 3512009) is 1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one?
The canonical SMILES for 1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one is CC(C)(C)N1C(=O)CC(=NO)CC1C=Cc1ccccc1.
What is the InChIKey of 1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one?
The InChIKey is AMAVFPPTRZCOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,3)19-15(11-14(18-21)12-16(19)20)10-9-13-7-5-4-6-8-13/h4-10,15,21H,11-12H2,1-3H3.
What are the key properties of 1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one?
1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one has a molecular weight of 286.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one is sourced from PubChem (CID 3512009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).