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

C12H23NO2 — CID 142135233

IUPAC4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol
SMILESC/C=C\C(=C/C)C1(O)CCNCC1.CO
InChIInChI=1S/C11H19NO.CH4O/c1-3-5-10(4-2)11(13)6-8-12-9-7-11;1-2/h3-5,12-13H,6-9H2,1-2H3;2H,1H3/b5-3-,10-4+;
InChIKeyCLOXOSIMVVWXBO-BOWQZNNWSA-N
MW213.32 g/mol
LogP1.23
Rot. Bonds2

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

4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol (PubChem CID 142135233) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol.

Molecular Properties

Compound Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol
PubChem CID142135233
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol
SMILESC/C=C\C(=C/C)C1(O)CCNCC1.CO
InChIInChI=1S/C11H19NO.CH4O/c1-3-5-10(4-2)11(13)6-8-12-9-7-11;1-2/h3-5,12-13H,6-9H2,1-2H3;2H,1H3/b5-3-,10-4+;
InChIKeyCLOXOSIMVVWXBO-BOWQZNNWSA-N
XLogP1.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol with MolForge

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Related Compounds

4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-Phenylpiperidin-4-ol;yttrium
CID 58814120
4-Phenylpiperidin-4-ol;tungsten
CID 59320739
1-[2-(Ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol
CID 67420181
(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol
CID 88562294
(5E)-6-piperidin-4-ylocta-1,5-dien-4-ol
CID 89140271
1-Cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
[4-Methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
CID 91242625
4-[(E)-but-1-enyl]piperidin-4-ol
CID 117613586
4-Penta-2,4-dien-2-ylpiperidin-4-ol
CID 123191311
4-[(3Z,5E)-5-bromohepta-1,3,5-trien-2-yl]piperidin-4-ol
CID 132034392
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
CID 134365800

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol?
The IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol (CID 142135233) is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol.
What is the SMILES notation for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol?
The canonical SMILES for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol is C/C=C\C(=C/C)C1(O)CCNCC1.CO.
What is the InChIKey of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol?
The InChIKey is CLOXOSIMVVWXBO-BOWQZNNWSA-N. The full InChI is InChI=1S/C11H19NO.CH4O/c1-3-5-10(4-2)11(13)6-8-12-9-7-11;1-2/h3-5,12-13H,6-9H2,1-2H3;2H,1H3/b5-3-,10-4+;.
What are the key properties of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol?
4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol has a molecular weight of 213.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol is sourced from PubChem (CID 142135233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).