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

C12H19NO — CID 143150891

IUPAC1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
SMILESC=C/C=C(\C=C)CN1CCC(O)CC1
InChIInChI=1S/C12H19NO/c1-3-5-11(4-2)10-13-8-6-12(14)7-9-13/h3-5,12,14H,1-2,6-10H2/b11-5+
InChIKeyNGNZWPVGKUXFKF-VZUCSPMQSA-N
MW193.29 g/mol
LogP1.74
Rot. Bonds4

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

1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol (PubChem CID 143150891) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
PubChem CID143150891
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
SMILESC=C/C=C(\C=C)CN1CCC(O)CC1
InChIInChI=1S/C12H19NO/c1-3-5-11(4-2)10-13-8-6-12(14)7-9-13/h3-5,12,14H,1-2,6-10H2/b11-5+
InChIKeyNGNZWPVGKUXFKF-VZUCSPMQSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.74
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

1,1-Bis(prop-2-enyl)piperidin-1-ium-4-ol
CID 57064337
1-Pent-4-enylpiperidin-4-ol
CID 64300041
3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol
CID 139470817
1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol
CID 142260643
ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine
CID 142999628
1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 143718323
1-[(5E,7E)-5,8-dimethyl-4-methylidenedeca-5,7-dienyl]piperidin-4-ol
CID 144394058
ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine
CID 144430999
ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine
CID 144671472
(2R)-4-(4-methyl-2H-pyridin-1-yl)butan-2-ol
CID 153556772
1-[(4E,6E)-2-methyldeca-2,4,6-trien-5-yl]piperidin-4-ol
CID 156421147
1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine
CID 156793582

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol?
The IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol (CID 143150891) is 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol?
The canonical SMILES for 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol is C=C/C=C(\C=C)CN1CCC(O)CC1.
What is the InChIKey of 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol?
The InChIKey is NGNZWPVGKUXFKF-VZUCSPMQSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-11(4-2)10-13-8-6-12(14)7-9-13/h3-5,12,14H,1-2,6-10H2/b11-5+.
What are the key properties of 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol?
1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol has a molecular weight of 193.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol is sourced from PubChem (CID 143150891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).