(2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol

C14H23NO — CID 129060034

IUPAC(2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol
SMILESC/C=C/C=C(O)\C=C/CC1CCN(C)CC1
InChIInChI=1S/C14H23NO/c1-3-4-7-14(16)8-5-6-13-9-11-15(2)12-10-13/h3-5,7-8,13,16H,6,9-12H2,1-2H3/b4-3+,8-5-,14-7+
InChIKeyODIWURTZXYXOCO-ZROUSKLZSA-N
MW221.34 g/mol
LogP3.29
Rot. Bonds4

About (2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol

(2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol (PubChem CID 129060034) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol.

Molecular Properties

Compound Name(2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol
PubChem CID129060034
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol
SMILESC/C=C/C=C(O)\C=C/CC1CCN(C)CC1
InChIInChI=1S/C14H23NO/c1-3-4-7-14(16)8-5-6-13-9-11-15(2)12-10-13/h3-5,7-8,13,16H,6,9-12H2,1-2H3/b4-3+,8-5-,14-7+
InChIKeyODIWURTZXYXOCO-ZROUSKLZSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.29
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 (2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol?
The IUPAC name of (2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol (CID 129060034) is (2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol.
What is the SMILES notation for (2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol?
The canonical SMILES for (2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol is C/C=C/C=C(O)\C=C/CC1CCN(C)CC1.
What is the InChIKey of (2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol?
The InChIKey is ODIWURTZXYXOCO-ZROUSKLZSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-7-14(16)8-5-6-13-9-11-15(2)12-10-13/h3-5,7-8,13,16H,6,9-12H2,1-2H3/b4-3+,8-5-,14-7+.
What are the key properties of (2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol?
(2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol has a molecular weight of 221.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol is sourced from PubChem (CID 129060034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).