4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine

C13H21NO — CID 142055939

IUPAC4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine
SMILESC=C/C=C(\C=C)COCC1CCNCC1
InChIInChI=1S/C13H21NO/c1-3-5-12(4-2)10-15-11-13-6-8-14-9-7-13/h3-5,13-14H,1-2,6-11H2/b12-5+
InChIKeyGRHNSYFICAJPLG-LFYBBSHMSA-N
MW207.32 g/mol
LogP2.30
Rot. Bonds6

About 4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine

4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine (PubChem CID 142055939) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine.

Molecular Properties

Compound Name4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine
PubChem CID142055939
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine
SMILESC=C/C=C(\C=C)COCC1CCNCC1
InChIInChI=1S/C13H21NO/c1-3-5-12(4-2)10-15-11-13-6-8-14-9-7-13/h3-5,13-14H,1-2,6-11H2/b12-5+
InChIKeyGRHNSYFICAJPLG-LFYBBSHMSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine?
The IUPAC name of 4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine (CID 142055939) is 4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine.
What is the SMILES notation for 4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine?
The canonical SMILES for 4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine is C=C/C=C(\C=C)COCC1CCNCC1.
What is the InChIKey of 4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine?
The InChIKey is GRHNSYFICAJPLG-LFYBBSHMSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-5-12(4-2)10-15-11-13-6-8-14-9-7-13/h3-5,13-14H,1-2,6-11H2/b12-5+.
What are the key properties of 4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine?
4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine is sourced from PubChem (CID 142055939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).