(2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol

C20H27NO — CID 142195897

IUPAC(2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol
SMILESC=C/C=C\C(=C/C)C(O)(c1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C20H27NO/c1-4-6-10-17(5-2)20(22,18-11-8-7-9-12-18)19-13-15-21(3)16-14-19/h4-12,19,22H,1,13-16H2,2-3H3/b10-6-,17-5+
InChIKeyWNGMDURVDXWPMC-MDYRNCONSA-N
MW297.44 g/mol
LogP3.90
Rot. Bonds5

About (2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol

(2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol (PubChem CID 142195897) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol
PubChem CID142195897
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol
SMILESC=C/C=C\C(=C/C)C(O)(c1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C20H27NO/c1-4-6-10-17(5-2)20(22,18-11-8-7-9-12-18)19-13-15-21(3)16-14-19/h4-12,19,22H,1,13-16H2,2-3H3/b10-6-,17-5+
InChIKeyWNGMDURVDXWPMC-MDYRNCONSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

[(3E,4Z)-3-ethylidene-1,1,1-trifluoro-2-(trifluoromethyl)hepta-4,6-dien-2-yl]benzene
CID 126625678
ethane;[(3E,4Z)-3-ethylidene-1,1,1-trifluoro-2-(trifluoromethyl)hepta-4,6-dien-2-yl]benzene
CID 143793205
(3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide
CID 143136785
1-cyclopentyl-1-hydroxy-3-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-phenylpropan-2-one
CID 59842499
2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide
CID 14931307
2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride
CID 54609205
(1-methylpyrrolidin-3-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 59751377
3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol
CID 13266406
(E)-but-2-enedioic acid;(6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)-phenylmethanol
CID 45053545
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
[(3R)-1-methylpiperidin-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 118984357
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol?
The IUPAC name of (2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol (CID 142195897) is (2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol.
What is the SMILES notation for (2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol?
The canonical SMILES for (2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol is C=C/C=C\C(=C/C)C(O)(c1ccccc1)C1CCN(C)CC1.
What is the InChIKey of (2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol?
The InChIKey is WNGMDURVDXWPMC-MDYRNCONSA-N. The full InChI is InChI=1S/C20H27NO/c1-4-6-10-17(5-2)20(22,18-11-8-7-9-12-18)19-13-15-21(3)16-14-19/h4-12,19,22H,1,13-16H2,2-3H3/b10-6-,17-5+.
What are the key properties of (2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol?
(2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol has a molecular weight of 297.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-1-(1-methylpiperidin-4-yl)-1-phenylhexa-3,5-dien-1-ol is sourced from PubChem (CID 142195897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).