1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine

C13H21NO — CID 156793582

IUPAC1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine
SMILESC=C/C=C(\C=C)CN1CCC(OC)CC1
InChIInChI=1S/C13H21NO/c1-4-6-12(5-2)11-14-9-7-13(15-3)8-10-14/h4-6,13H,1-2,7-11H2,3H3/b12-6+
InChIKeyQDIPSBXFGWPOAS-WUXMJOGZSA-N
MW207.32 g/mol
LogP2.40
Rot. Bonds5

About 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine

1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine (PubChem CID 156793582) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine
PubChem CID156793582
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine
SMILESC=C/C=C(\C=C)CN1CCC(OC)CC1
InChIInChI=1S/C13H21NO/c1-4-6-12(5-2)11-14-9-7-13(15-3)8-10-14/h4-6,13H,1-2,7-11H2,3H3/b12-6+
InChIKeyQDIPSBXFGWPOAS-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'}

Analyze 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxy-1-prop-2-enylpiperidine
CID 130715390
4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-methylpiperidine
CID 142326927
1-[(E)-but-2-enyl]-4-ethoxypiperidine
CID 142818318
ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine
CID 142999628
1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
CID 143150891
ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine
CID 143639610
1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 143718323
1-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-4-methoxypiperidine
CID 144185950
ethene;1-[(Z)-2-(1-methoxyethenyl)but-2-enyl]piperidine
CID 144347286
ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine
CID 144430999
ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine
CID 144671472
1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine
CID 145145582

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine?
The IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine (CID 156793582) is 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine?
The canonical SMILES for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine is C=C/C=C(\C=C)CN1CCC(OC)CC1.
What is the InChIKey of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine?
The InChIKey is QDIPSBXFGWPOAS-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-6-12(5-2)11-14-9-7-13(15-3)8-10-14/h4-6,13H,1-2,7-11H2,3H3/b12-6+.
What are the key properties of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine?
1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine 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 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine is sourced from PubChem (CID 156793582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).