2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine

C16H29NO — CID 104940364

IUPAC2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine
SMILESCC(CC1CCCCN1)=C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H29NO/c1-12(10-13-8-6-7-9-17-13)14-11-15(2,3)18-16(14,4)5/h13,17H,6-11H2,1-5H3
InChIKeyGOXXQABUUVLFRN-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.81
Rot. Bonds2

About 2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine

2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine (PubChem CID 104940364) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine.

Molecular Properties

Compound Name2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine
PubChem CID104940364
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine
SMILESCC(CC1CCCCN1)=C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H29NO/c1-12(10-13-8-6-7-9-17-13)14-11-15(2,3)18-16(14,4)5/h13,17H,6-11H2,1-5H3
InChIKeyGOXXQABUUVLFRN-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(Oxolan-3-ylidene)propyl]piperidine
CID 104855404
2-[3-(5,5-Dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine
CID 104889629
3-(2,2,5,5-Tetramethyloxolan-3-ylidene)piperidine
CID 104940359
3-[2-(2,2,5,5-Tetramethyloxolan-3-ylidene)propyl]morpholine
CID 113609568
4-(2,2,5,5-Tetramethyloxolan-3-ylidene)piperidine
CID 114624411
2-[(2E)-2-(oxolan-3-ylidene)propyl]piperidine
CID 133666212
2-[(1E)-1-(oxolan-3-ylidene)ethyl]piperidine
CID 133671150

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine?
The IUPAC name of 2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine (CID 104940364) is 2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine.
What is the SMILES notation for 2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine?
The canonical SMILES for 2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine is CC(CC1CCCCN1)=C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine?
The InChIKey is GOXXQABUUVLFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-12(10-13-8-6-7-9-17-13)14-11-15(2,3)18-16(14,4)5/h13,17H,6-11H2,1-5H3.
What are the key properties of 2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine?
2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine has a molecular weight of 251.41 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,5,5-tetramethyloxolan-3-ylidene)propyl]piperidine is sourced from PubChem (CID 104940364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).