ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol

C14H27NO2 — CID 143402022

IUPACethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol
SMILESC/C=C\C=C(/C)C1(OC)CCNCC1O.CC
InChIInChI=1S/C12H21NO2.C2H6/c1-4-5-6-10(2)12(15-3)7-8-13-9-11(12)14;1-2/h4-6,11,13-14H,7-9H2,1-3H3;1-2H3/b5-4-,10-6+;
InChIKeyLSMAERIZDZUGCJ-CTCRGEBPSA-N
MW241.38 g/mol
LogP2.27
Rot. Bonds3

About ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol

ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol (PubChem CID 143402022) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol.

Molecular Properties

Compound Nameethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol
PubChem CID143402022
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Nameethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol
SMILESC/C=C\C=C(/C)C1(OC)CCNCC1O.CC
InChIInChI=1S/C12H21NO2.C2H6/c1-4-5-6-10(2)12(15-3)7-8-13-9-11(12)14;1-2/h4-6,11,13-14H,7-9H2,1-3H3;1-2H3/b5-4-,10-6+;
InChIKeyLSMAERIZDZUGCJ-CTCRGEBPSA-N
XLogP2.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,4aR,5E,7aR)-5-[(E)-but-2-enylidene]-2,3,4,7a-tetrahydro-1H-cyclopenta[b]pyridine-4,4a-diol
CID 163187875
3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol
CID 143401943
4-Ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol
CID 143401995
1-[2-(Ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol
CID 67420181
ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methoxypiperidin-4-ol
CID 141861804
methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 142099574
4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol
CID 143402006
ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol
CID 143402026
1-[1-(2-Methoxyethyl)cyclohexa-2,4-dien-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol
CID 153968743
1-[1-Hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol
CID 154389573
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methoxypiperidin-4-ol
CID 141861805
4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 142099575

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol?
The IUPAC name of ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol (CID 143402022) is ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol.
What is the SMILES notation for ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol?
The canonical SMILES for ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol is C/C=C\C=C(/C)C1(OC)CCNCC1O.CC.
What is the InChIKey of ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol?
The InChIKey is LSMAERIZDZUGCJ-CTCRGEBPSA-N. The full InChI is InChI=1S/C12H21NO2.C2H6/c1-4-5-6-10(2)12(15-3)7-8-13-9-11(12)14;1-2/h4-6,11,13-14H,7-9H2,1-3H3;1-2H3/b5-4-,10-6+;.
What are the key properties of ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol?
ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol has a molecular weight of 241.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol is sourced from PubChem (CID 143402022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).