2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine

C13H21NO — CID 134380103

IUPAC2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine
SMILESC=CC1CCCCN1C(=C)C(=C)OCC
InChIInChI=1S/C13H21NO/c1-5-13-9-7-8-10-14(13)11(3)12(4)15-6-2/h5,13H,1,3-4,6-10H2,2H3
InChIKeyCRPUUMFLKJRFTF-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.09
Rot. Bonds5

About 2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine

2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine (PubChem CID 134380103) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine.

Molecular Properties

Compound Name2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine
PubChem CID134380103
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine
SMILESC=CC1CCCCN1C(=C)C(=C)OCC
InChIInChI=1S/C13H21NO/c1-5-13-9-7-8-10-14(13)11(3)12(4)15-6-2/h5,13H,1,3-4,6-10H2,2H3
InChIKeyCRPUUMFLKJRFTF-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethenylpiperidin-1-yl)ethenol
CID 10630712
1-(2-ethenylazocan-1-yl)propan-1-one
CID 132518905
4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
CID 132970625
1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 102330307
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
2-ethenyl-1-propylpiperidine
CID 13181247
1-[(2S)-2-ethenylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 134571035
1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
CID 45113887
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
tert-butyl (2R)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 52916325
[(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone
CID 129349370
ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78978558

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine?
The IUPAC name of 2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine (CID 134380103) is 2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine.
What is the SMILES notation for 2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine?
The canonical SMILES for 2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine is C=CC1CCCCN1C(=C)C(=C)OCC.
What is the InChIKey of 2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine?
The InChIKey is CRPUUMFLKJRFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-13-9-7-8-10-14(13)11(3)12(4)15-6-2/h5,13H,1,3-4,6-10H2,2H3.
What are the key properties of 2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine?
2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine is sourced from PubChem (CID 134380103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).