3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine

C18H33NO — CID 143491341

IUPAC3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine
SMILESCCCC/C=C/C=C/OCCCN1CCCC(C)(C)C1
InChIInChI=1S/C18H33NO/c1-4-5-6-7-8-9-15-20-16-11-14-19-13-10-12-18(2,3)17-19/h7-9,15H,4-6,10-14,16-17H2,1-3H3/b8-7+,15-9+
InChIKeyBXUAPFJCXYCXMD-WESQECEQSA-N
MW279.47 g/mol
LogP4.78
Rot. Bonds9

About 3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine

3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine (PubChem CID 143491341) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine
PubChem CID143491341
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine
SMILESCCCC/C=C/C=C/OCCCN1CCCC(C)(C)C1
InChIInChI=1S/C18H33NO/c1-4-5-6-7-8-9-15-20-16-11-14-19-13-10-12-18(2,3)17-19/h7-9,15H,4-6,10-14,16-17H2,1-3H3/b8-7+,15-9+
InChIKeyBXUAPFJCXYCXMD-WESQECEQSA-N
XLogP4.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine?
The IUPAC name of 3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine (CID 143491341) is 3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine.
What is the SMILES notation for 3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine?
The canonical SMILES for 3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine is CCCC/C=C/C=C/OCCCN1CCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine?
The InChIKey is BXUAPFJCXYCXMD-WESQECEQSA-N. The full InChI is InChI=1S/C18H33NO/c1-4-5-6-7-8-9-15-20-16-11-14-19-13-10-12-18(2,3)17-19/h7-9,15H,4-6,10-14,16-17H2,1-3H3/b8-7+,15-9+.
What are the key properties of 3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine?
3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine has a molecular weight of 279.47 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine is sourced from PubChem (CID 143491341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).