1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine

C13H21NO — CID 12570838

IUPAC1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine
SMILESCC1C=C(N2CCCCC2)C2OC2(C)C1
InChIInChI=1S/C13H21NO/c1-10-8-11(12-13(2,9-10)15-12)14-6-4-3-5-7-14/h8,10,12H,3-7,9H2,1-2H3
InChIKeyBCQKUWSVTRGDTE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.55
Rot. Bonds1

About 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine

1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine (PubChem CID 12570838) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine.

Molecular Properties

Compound Name1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine
PubChem CID12570838
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine
SMILESCC1C=C(N2CCCCC2)C2OC2(C)C1
InChIInChI=1S/C13H21NO/c1-10-8-11(12-13(2,9-10)15-12)14-6-4-3-5-7-14/h8,10,12H,3-7,9H2,1-2H3
InChIKeyBCQKUWSVTRGDTE-UHFFFAOYSA-N
XLogP2.55
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine?
The IUPAC name of 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine (CID 12570838) is 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine.
What is the SMILES notation for 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine?
The canonical SMILES for 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine is CC1C=C(N2CCCCC2)C2OC2(C)C1.
What is the InChIKey of 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine?
The InChIKey is BCQKUWSVTRGDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-8-11(12-13(2,9-10)15-12)14-6-4-3-5-7-14/h8,10,12H,3-7,9H2,1-2H3.
What are the key properties of 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine?
1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine is sourced from PubChem (CID 12570838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).