ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol

C13H23NO — CID 143443292

IUPACethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol
SMILESC=C/C=C(\C=C)C1(O)CCNCC1.CC
InChIInChI=1S/C11H17NO.C2H6/c1-3-5-10(4-2)11(13)6-8-12-9-7-11;1-2/h3-5,12-13H,1-2,6-9H2;1-2H3/b10-5+;
InChIKeyBTQMNCCGSJIXPU-OAZHBLANSA-N
MW209.33 g/mol
LogP2.43
Rot. Bonds3

About ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol

ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol (PubChem CID 143443292) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol.

Molecular Properties

Compound Nameethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol
PubChem CID143443292
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol
SMILESC=C/C=C(\C=C)C1(O)CCNCC1.CC
InChIInChI=1S/C11H17NO.C2H6/c1-3-5-10(4-2)11(13)6-8-12-9-7-11;1-2/h3-5,12-13H,1-2,6-9H2;1-2H3/b10-5+;
InChIKeyBTQMNCCGSJIXPU-OAZHBLANSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
4-[(3E)-4-[amino(difluoro)methyl]-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-ol
CID 143151017
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
4-Methyl-alpha-ethyl-methyl-tyramine
CID 129705387
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-Phenylpiperidin-4-ol;yttrium
CID 58814120
4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol
CID 59007368
4-Phenylpiperidin-4-ol;tungsten
CID 59320739
(3S,5R)-4-cyclohexa-2,4-dien-1-yl-3,5-dimethylpiperidin-4-ol
CID 68311904
(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol
CID 88562294
4-(4-Methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 89025215
4-[(E)-but-1-enyl]piperidin-4-ol
CID 117613586

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol?
The IUPAC name of ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol (CID 143443292) is ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol.
What is the SMILES notation for ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol?
The canonical SMILES for ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol is C=C/C=C(\C=C)C1(O)CCNCC1.CC.
What is the InChIKey of ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol?
The InChIKey is BTQMNCCGSJIXPU-OAZHBLANSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-3-5-10(4-2)11(13)6-8-12-9-7-11;1-2/h3-5,12-13H,1-2,6-9H2;1-2H3/b10-5+;.
What are the key properties of ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol?
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol has a molecular weight of 209.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol is sourced from PubChem (CID 143443292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).