ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine

C16H31NO — CID 144671472

IUPACethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine
SMILESC=C/C=C(\C=C)CN1CCCCC1.CC.CCO
InChIInChI=1S/C12H19N.C2H6O.C2H6/c1-3-8-12(4-2)11-13-9-6-5-7-10-13;1-2-3;1-2/h3-4,8H,1-2,5-7,9-11H2;3H,2H2,1H3;1-2H3/b12-8+;;
InChIKeyFGAVAKYFJMVPQE-BPWZRWDXSA-N
MW253.43 g/mol
LogP3.80
Rot. Bonds4

About ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine

ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine (PubChem CID 144671472) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine.

Molecular Properties

Compound Nameethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine
PubChem CID144671472
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Nameethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine
SMILESC=C/C=C(\C=C)CN1CCCCC1.CC.CCO
InChIInChI=1S/C12H19N.C2H6O.C2H6/c1-3-8-12(4-2)11-13-9-6-5-7-10-13;1-2-3;1-2/h3-4,8H,1-2,5-7,9-11H2;3H,2H2,1H3;1-2H3/b12-8+;;
InChIKeyFGAVAKYFJMVPQE-BPWZRWDXSA-N
XLogP3.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[(3E,5Z)-3-ethylocta-3,5,7-trienyl]-methylamino]ethanol
CID 134388192
1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
CID 143150891
1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 143718323
(1E,5E)-6-methyl-7-piperidin-1-ylhepta-1,5-dien-1-ol
CID 144302266
ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine
CID 144430999
[1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol
CID 145440061
1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine
CID 156793582
1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol
CID 163860284
(2E,4Z)-6-(piperidin-1-ylmethyl)hepta-2,4,6-trien-2-ol
CID 164152495
1-[(3E)-3-ethylidenepiperidin-1-yl]ethanol
CID 169986890
1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidin-4-ol
CID 143491900
(3E)-4-methyl-5-(piperidin-1-yl)pent-3-en-1-ol
CID 169547302

Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine?
The IUPAC name of ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine (CID 144671472) is ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine.
What is the SMILES notation for ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine?
The canonical SMILES for ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine is C=C/C=C(\C=C)CN1CCCCC1.CC.CCO.
What is the InChIKey of ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine?
The InChIKey is FGAVAKYFJMVPQE-BPWZRWDXSA-N. The full InChI is InChI=1S/C12H19N.C2H6O.C2H6/c1-3-8-12(4-2)11-13-9-6-5-7-10-13;1-2-3;1-2/h3-4,8H,1-2,5-7,9-11H2;3H,2H2,1H3;1-2H3/b12-8+;;.
What are the key properties of ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine?
ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine has a molecular weight of 253.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine is sourced from PubChem (CID 144671472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).