(3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol

C16H25NO — CID 144515618

IUPAC(3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol
SMILESC=C/C=C\C(O)=C(/C=C)C1(CC)CCN(C)CC1
InChIInChI=1S/C16H25NO/c1-5-8-9-15(18)14(6-2)16(7-3)10-12-17(4)13-11-16/h5-6,8-9,18H,1-2,7,10-13H2,3-4H3/b9-8-,15-14-
InChIKeyJCZJCQJSXVCPKU-FMUMETBJSA-N
MW247.38 g/mol
LogP3.85
Rot. Bonds5

About (3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol

(3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol (PubChem CID 144515618) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol.

Molecular Properties

Compound Name(3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol
PubChem CID144515618
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol
SMILESC=C/C=C\C(O)=C(/C=C)C1(CC)CCN(C)CC1
InChIInChI=1S/C16H25NO/c1-5-8-9-15(18)14(6-2)16(7-3)10-12-17(4)13-11-16/h5-6,8-9,18H,1-2,7,10-13H2,3-4H3/b9-8-,15-14-
InChIKeyJCZJCQJSXVCPKU-FMUMETBJSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol with MolForge

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Related Compounds

(3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol
CID 167467873
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
(2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol
CID 129060034
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-3-methylcyclohexa-1,5-dien-1-ol
CID 132162086
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
CID 134365800
6-Tert-butyl-4-[(dipentylamino)methylidene]-2-methylcyclohexa-1,5-dien-1-ol
CID 141575396
ethane;4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 141848831
4-Cyclohepta-1,3,4,6-tetraen-1-yl-1-methylpiperidin-4-ol
CID 141855149
Ethane;3-ethenyl-8-methyl-4-propyl-8-azaspiro[4.5]deca-1,3-dien-2-ol;fluoromethane
CID 141899774
ethane;4-[(3E)-hexa-1,3-dien-3-yl]-1-methylpiperidin-4-ol
CID 142138355
ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol
CID 143049084
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol
CID 143617059

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol?
The IUPAC name of (3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol (CID 144515618) is (3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol.
What is the SMILES notation for (3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol?
The canonical SMILES for (3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol is C=C/C=C\C(O)=C(/C=C)C1(CC)CCN(C)CC1.
What is the InChIKey of (3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol?
The InChIKey is JCZJCQJSXVCPKU-FMUMETBJSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-8-9-15(18)14(6-2)16(7-3)10-12-17(4)13-11-16/h5-6,8-9,18H,1-2,7,10-13H2,3-4H3/b9-8-,15-14-.
What are the key properties of (3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol?
(3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol has a molecular weight of 247.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol is sourced from PubChem (CID 144515618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).