4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine

C13H21NO — CID 142326927

IUPAC4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine
SMILESC=C/C=C(\C=C)COC1CCN(C)CC1
InChIInChI=1S/C13H21NO/c1-4-6-12(5-2)11-15-13-7-9-14(3)10-8-13/h4-6,13H,1-2,7-11H2,3H3/b12-6+
InChIKeyUCYHIHWTRLOVTF-WUXMJOGZSA-N
MW207.32 g/mol
LogP2.40
Rot. Bonds5

About 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine

4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine (PubChem CID 142326927) 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]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine
PubChem CID142326927
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine
SMILESC=C/C=C(\C=C)COC1CCN(C)CC1
InChIInChI=1S/C13H21NO/c1-4-6-12(5-2)11-15-13-7-9-14(3)10-8-13/h4-6,13H,1-2,7-11H2,3H3/b12-6+
InChIKeyUCYHIHWTRLOVTF-WUXMJOGZSA-N
XLogP2.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
CID 142009799
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
CID 143392129
ethane;1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394648
1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394649
1-Ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502855
4-[(E)-but-2-enoxy]-1-methylpiperidine
CID 59007600
1-Methyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine
CID 89594189
1-[2-(Cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine
CID 129142309
8-ethyl-2-methyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 130220142
4-(Cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine
CID 134314318
1-Methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 139541228
1-Methyl-4-(5-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 141992259

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine?
The IUPAC name of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine (CID 142326927) is 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine.
What is the SMILES notation for 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine?
The canonical SMILES for 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine is C=C/C=C(\C=C)COC1CCN(C)CC1.
What is the InChIKey of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine?
The InChIKey is UCYHIHWTRLOVTF-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-6-12(5-2)11-15-13-7-9-14(3)10-8-13/h4-6,13H,1-2,7-11H2,3H3/b12-6+.
What are the key properties of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine?
4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine has a molecular weight of 207.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine is sourced from PubChem (CID 142326927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).