3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine

C13H23NO — CID 104940359

IUPAC3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine
SMILESCC1(C)CC(=C2CCCNC2)C(C)(C)O1
InChIInChI=1S/C13H23NO/c1-12(2)8-11(13(3,4)15-12)10-6-5-7-14-9-10/h14H,5-9H2,1-4H3
InChIKeyAFNZVTYUBRMFTF-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds

About 3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine

3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine (PubChem CID 104940359) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine.

Molecular Properties

Compound Name3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine
PubChem CID104940359
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine
SMILESCC1(C)CC(=C2CCCNC2)C(C)(C)O1
InChIInChI=1S/C13H23NO/c1-12(2)8-11(13(3,4)15-12)10-6-5-7-14-9-10/h14H,5-9H2,1-4H3
InChIKeyAFNZVTYUBRMFTF-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine?
The IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine (CID 104940359) is 3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine.
What is the SMILES notation for 3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine?
The canonical SMILES for 3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine is CC1(C)CC(=C2CCCNC2)C(C)(C)O1.
What is the InChIKey of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine?
The InChIKey is AFNZVTYUBRMFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2)8-11(13(3,4)15-12)10-6-5-7-14-9-10/h14H,5-9H2,1-4H3.
What are the key properties of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine?
3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,5-tetramethyloxolan-3-ylidene)piperidine is sourced from PubChem (CID 104940359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).