(8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one

C18H29NO2 — CID 169232131

IUPAC(8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one
SMILESC=C/C=C(\C=C)CCCCCCC(=O)N1CCCC(O)C1
InChIInChI=1S/C18H29NO2/c1-3-10-16(4-2)11-7-5-6-8-13-18(21)19-14-9-12-17(20)15-19/h3-4,10,17,20H,1-2,5-9,11-15H2/b16-10+
InChIKeyQNOQLCLVGQJDBZ-MHWRWJLKSA-N
MW291.44 g/mol
LogP3.61
Rot. Bonds9

About (8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one

(8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one (PubChem CID 169232131) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one.

Molecular Properties

Compound Name(8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one
PubChem CID169232131
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one
SMILESC=C/C=C(\C=C)CCCCCCC(=O)N1CCCC(O)C1
InChIInChI=1S/C18H29NO2/c1-3-10-16(4-2)11-7-5-6-8-13-18(21)19-14-9-12-17(20)15-19/h3-4,10,17,20H,1-2,5-9,11-15H2/b16-10+
InChIKeyQNOQLCLVGQJDBZ-MHWRWJLKSA-N
XLogP3.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z,8Z,11Z,14Z)-1-(3-Hydroxy-piperidin-1-yl)-icosa-5,8,11,14-tetraen-1-one
CID 9908297
1-(3-Hydroxypiperidin-1-yl)icosa-5,8,11,14-tetraen-1-one
CID 49824015
1-(4-Hydroxypiperidin-1-yl)octadec-9-en-1-one
CID 53830373
1-(3-Hydroxypiperidin-1-yl)octadec-9-en-1-one
CID 54331327
(Z)-1-(3-hydroxypiperidin-1-yl)octadec-9-en-1-one
CID 67647685
(Z)-1-(4-hydroxypiperidin-1-yl)octadec-9-en-1-one
CID 67649047
(4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 71065608
(E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide
CID 121257150
Ethane;2-hydroxy-1-[4-(hydroxymethyl)piperidin-1-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)butan-1-one
CID 142971334
[2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 169232113
1-(4-Hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one
CID 169232114
2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 63563841

Frequently Asked Questions

What is the IUPAC name of (8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one?
The IUPAC name of (8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one (CID 169232131) is (8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one.
What is the SMILES notation for (8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one?
The canonical SMILES for (8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one is C=C/C=C(\C=C)CCCCCCC(=O)N1CCCC(O)C1.
What is the InChIKey of (8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one?
The InChIKey is QNOQLCLVGQJDBZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-10-16(4-2)11-7-5-6-8-13-18(21)19-14-9-12-17(20)15-19/h3-4,10,17,20H,1-2,5-9,11-15H2/b16-10+.
What are the key properties of (8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one?
(8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one has a molecular weight of 291.44 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one is sourced from PubChem (CID 169232131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).