ethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one

C19H33NO2 — CID 156878214

IUPACethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one
SMILESC=C(/C=C\C(=C/C)CC)C(=O)N1CCC(CCO)CC1.CC
InChIInChI=1S/C17H27NO2.C2H6/c1-4-15(5-2)7-6-14(3)17(20)18-11-8-16(9-12-18)10-13-19;1-2/h4,6-7,16,19H,3,5,8-13H2,1-2H3;1-2H3/b7-6-,15-4-;
InChIKeyDUEAXZOLKDBNIM-JESLTXAHSA-N
MW307.48 g/mol
LogP4.10
Rot. Bonds6

About ethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one

ethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one (PubChem CID 156878214) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is ethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one.

Molecular Properties

Compound Nameethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one
PubChem CID156878214
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Nameethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one
SMILESC=C(/C=C\C(=C/C)CC)C(=O)N1CCC(CCO)CC1.CC
InChIInChI=1S/C17H27NO2.C2H6/c1-4-15(5-2)7-6-14(3)17(20)18-11-8-16(9-12-18)10-13-19;1-2/h4,6-7,16,19H,3,5,8-13H2,1-2H3;1-2H3/b7-6-,15-4-;
InChIKeyDUEAXZOLKDBNIM-JESLTXAHSA-N
XLogP4.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,6E,8E)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one
CID 56666396
1-(2-Hydroxypiperidin-1-yl)-3,7,11-trimethyldodeca-2,6,10-trien-1-one
CID 53871483
(2E,6E)-1-(2-hydroxypiperidin-1-yl)-3,7,11-trimethyldodeca-2,6,10-trien-1-one
CID 70403245
1-(1-hydroxy-3,4,4a,5-tetrahydro-1H-isoquinolin-2-yl)ethanone
CID 70512012
1-[3-[6-(2-Hydroxyethyl)-8,8-dimethyl-2-methylidenenona-4,6-dienylidene]piperidin-1-yl]ethanone
CID 123563790
ethane;(2E,4Z)-1-(3-hydroxypiperidin-1-yl)-2-methyl-5-propan-2-ylhepta-2,4,6-trien-1-one
CID 156877794
ethane;(2E,4Z)-1-(3-hydroxypiperidin-1-yl)-2-methyl-5-propan-2-ylhepta-2,4,6-trien-1-one;2-methylpropane
CID 156877979
(E)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpent-2-en-1-one
CID 43589519
(E)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpent-2-en-1-one
CID 60956873
5-[3-(Hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 84458121
Cyclopent-3-en-1-yl(4-(2-hydroxyethyl)piperidin-1-yl)methanone
CID 121200728
(2E,4Z)-1-(3-hydroxypiperidin-1-yl)-2-methyl-5-propan-2-ylhepta-2,4,6-trien-1-one
CID 156877795

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one?
The IUPAC name of ethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one (CID 156878214) is ethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one.
What is the SMILES notation for ethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one?
The canonical SMILES for ethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one is C=C(/C=C\C(=C/C)CC)C(=O)N1CCC(CCO)CC1.CC.
What is the InChIKey of ethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one?
The InChIKey is DUEAXZOLKDBNIM-JESLTXAHSA-N. The full InChI is InChI=1S/C17H27NO2.C2H6/c1-4-15(5-2)7-6-14(3)17(20)18-11-8-16(9-12-18)10-13-19;1-2/h4,6-7,16,19H,3,5,8-13H2,1-2H3;1-2H3/b7-6-,15-4-;.
What are the key properties of ethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one?
ethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one has a molecular weight of 307.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-5-ethyl-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylidenehepta-3,5-dien-1-one is sourced from PubChem (CID 156878214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).