1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol

C15H25NO2 — CID 157039783

IUPAC1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol
SMILESC=C/C=C(\C=C)CCCN1CCC(O)CC1CO
InChIInChI=1S/C15H25NO2/c1-3-6-13(4-2)7-5-9-16-10-8-15(18)11-14(16)12-17/h3-4,6,14-15,17-18H,1-2,5,7-12H2/b13-6+
InChIKeyXPPDHSJAKMTERG-AWNIVKPZSA-N
MW251.37 g/mol
LogP1.88
Rot. Bonds7

About 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol

1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol (PubChem CID 157039783) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol
PubChem CID157039783
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol
SMILESC=C/C=C(\C=C)CCCN1CCC(O)CC1CO
InChIInChI=1S/C15H25NO2/c1-3-6-13(4-2)7-5-9-16-10-8-15(18)11-14(16)12-17/h3-4,6,14-15,17-18H,1-2,5,7-12H2/b13-6+
InChIKeyXPPDHSJAKMTERG-AWNIVKPZSA-N
XLogP1.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,6R)-1-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol
CID 157039953
(2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 135075681
1-(Cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol
CID 87674939
1-(1-Cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol
CID 90711064
1-(Cyclohexa-1,3-dien-1-ylmethyl)-1-methoxy-6-methylpiperidin-1-ium-3-ol
CID 90969510
1-(Cyclohexa-1,5-dien-1-ylmethyl)-1-methoxy-6-methylpiperidin-1-ium-3-ol
CID 91218835
[(5E)-1-ethyl-4-methylidene-5-prop-2-enylidenepiperidin-2-yl]methanol
CID 143866514
ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol
CID 144575297
(3S,6R)-1-[(Z,3Z)-3-ethylidenehept-4-enyl]-6-(hydroxymethyl)piperidine-3,4-diol
CID 157039471
1-(2-Cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol
CID 157039507
1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol
CID 157039517
1-[(4E)-4-ethenyl-5-propoxyhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol
CID 157039581

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol (CID 157039783) is 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol is C=C/C=C(\C=C)CCCN1CCC(O)CC1CO.
What is the InChIKey of 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol?
The InChIKey is XPPDHSJAKMTERG-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-6-13(4-2)7-5-9-16-10-8-15(18)11-14(16)12-17/h3-4,6,14-15,17-18H,1-2,5,7-12H2/b13-6+.
What are the key properties of 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol?
1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol has a molecular weight of 251.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-2-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 157039783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).