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

C14H23NO — CID 609731

IUPAC1-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine
SMILESCC1(C)C=C(N2CCCCC2)C2OC2(C)C1
InChIInChI=1S/C14H23NO/c1-13(2)9-11(12-14(3,10-13)16-12)15-7-5-4-6-8-15/h9,12H,4-8,10H2,1-3H3
InChIKeyQOPUEAINAILHNX-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.94
Rot. Bonds1

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

1-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine (PubChem CID 609731) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine.

Molecular Properties

Compound Name1-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine
PubChem CID609731
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine
SMILESCC1(C)C=C(N2CCCCC2)C2OC2(C)C1
InChIInChI=1S/C14H23NO/c1-13(2)9-11(12-14(3,10-13)16-12)15-7-5-4-6-8-15/h9,12H,4-8,10H2,1-3H3
InChIKeyQOPUEAINAILHNX-UHFFFAOYSA-N
XLogP2.94
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.94
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-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine?
The IUPAC name of 1-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine (CID 609731) is 1-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine.
What is the SMILES notation for 1-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine?
The canonical SMILES for 1-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine is CC1(C)C=C(N2CCCCC2)C2OC2(C)C1.
What is the InChIKey of 1-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine?
The InChIKey is QOPUEAINAILHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13(2)9-11(12-14(3,10-13)16-12)15-7-5-4-6-8-15/h9,12H,4-8,10H2,1-3H3.
What are the key properties of 1-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine?
1-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine has a molecular weight of 221.34 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine is sourced from PubChem (CID 609731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).