(8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol

C18H29NO — CID 143215332

IUPAC(8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol
SMILESC=CCCCC(O)(C(=C)/C=C\C=C/C)C1CCCNC1
InChIInChI=1S/C18H29NO/c1-4-6-8-11-16(3)18(20,13-9-7-5-2)17-12-10-14-19-15-17/h4-6,8,11,17,19-20H,2-3,7,9-10,12-15H2,1H3/b6-4-,11-8-
InChIKeyLSEKGYVUMFWCSM-DGBPBKOVSA-N
MW275.44 g/mol
LogP3.76
Rot. Bonds8

About (8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol

(8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol (PubChem CID 143215332) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol.

Molecular Properties

Compound Name(8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol
PubChem CID143215332
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol
SMILESC=CCCCC(O)(C(=C)/C=C\C=C/C)C1CCCNC1
InChIInChI=1S/C18H29NO/c1-4-6-8-11-16(3)18(20,13-9-7-5-2)17-12-10-14-19-15-17/h4-6,8,11,17,19-20H,2-3,7,9-10,12-15H2,1H3/b6-4-,11-8-
InChIKeyLSEKGYVUMFWCSM-DGBPBKOVSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 143088792
(3S,5R)-4-cyclohexa-2,4-dien-1-yl-3,5-dimethylpiperidin-4-ol
CID 68311904
(2E)-2-ethenyl-1-piperidin-3-ylpenta-2,4-dien-1-ol
CID 88267971
(Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol
CID 88870555
4-(4-Methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 89025215
4-(Cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol
CID 91096213
4-(Cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol
CID 123461502
(3Z,7E,9Z)-5-methylidene-6-piperidin-4-yldodeca-1,3,7,9,11-pentaen-6-ol
CID 141835904
ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylpiperidin-4-ol
CID 141861829
4-Cyclohexa-1,3-dien-1-ylpiperidin-4-ol
CID 143193857
1-Cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol
CID 143215225
4-(3-Cyclohepta-1,4,6-trien-1-ylpropyl)piperidin-4-ol;ethane;pentane;prop-1-ene
CID 144056536

Frequently Asked Questions

What is the IUPAC name of (8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol?
The IUPAC name of (8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol (CID 143215332) is (8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol.
What is the SMILES notation for (8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol?
The canonical SMILES for (8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol is C=CCCCC(O)(C(=C)/C=C\C=C/C)C1CCCNC1.
What is the InChIKey of (8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol?
The InChIKey is LSEKGYVUMFWCSM-DGBPBKOVSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-6-8-11-16(3)18(20,13-9-7-5-2)17-12-10-14-19-15-17/h4-6,8,11,17,19-20H,2-3,7,9-10,12-15H2,1H3/b6-4-,11-8-.
What are the key properties of (8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol?
(8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol has a molecular weight of 275.44 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol is sourced from PubChem (CID 143215332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).