5-methyl-1-piperidin-4-yloxyhex-4-en-3-one

C12H21NO2 — CID 116572405

IUPAC5-methyl-1-piperidin-4-yloxyhex-4-en-3-one
SMILESCC(C)=CC(=O)CCOC1CCNCC1
InChIInChI=1S/C12H21NO2/c1-10(2)9-11(14)5-8-15-12-3-6-13-7-4-12/h9,12-13H,3-8H2,1-2H3
InChIKeyGBSCMXTWQUCVDG-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.68
Rot. Bonds5

About 5-methyl-1-piperidin-4-yloxyhex-4-en-3-one

5-methyl-1-piperidin-4-yloxyhex-4-en-3-one (PubChem CID 116572405) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yloxyhex-4-en-3-one.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yloxyhex-4-en-3-one
PubChem CID116572405
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name5-methyl-1-piperidin-4-yloxyhex-4-en-3-one
SMILESCC(C)=CC(=O)CCOC1CCNCC1
InChIInChI=1S/C12H21NO2/c1-10(2)9-11(14)5-8-15-12-3-6-13-7-4-12/h9,12-13H,3-8H2,1-2H3
InChIKeyGBSCMXTWQUCVDG-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yloxyhex-4-en-3-one?
The IUPAC name of 5-methyl-1-piperidin-4-yloxyhex-4-en-3-one (CID 116572405) is 5-methyl-1-piperidin-4-yloxyhex-4-en-3-one.
What is the SMILES notation for 5-methyl-1-piperidin-4-yloxyhex-4-en-3-one?
The canonical SMILES for 5-methyl-1-piperidin-4-yloxyhex-4-en-3-one is CC(C)=CC(=O)CCOC1CCNCC1.
What is the InChIKey of 5-methyl-1-piperidin-4-yloxyhex-4-en-3-one?
The InChIKey is GBSCMXTWQUCVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)9-11(14)5-8-15-12-3-6-13-7-4-12/h9,12-13H,3-8H2,1-2H3.
What are the key properties of 5-methyl-1-piperidin-4-yloxyhex-4-en-3-one?
5-methyl-1-piperidin-4-yloxyhex-4-en-3-one has a molecular weight of 211.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yloxyhex-4-en-3-one is sourced from PubChem (CID 116572405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).