(3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol

C13H21NO — CID 143551128

IUPAC(3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=C)C(O)CN1CCCCC1
InChIInChI=1S/C13H21NO/c1-3-8-12(4-2)13(15)11-14-9-6-5-7-10-14/h3-4,8,13,15H,1-2,5-7,9-11H2/b12-8+
InChIKeyWYDLJCIJVGYVJY-XYOKQWHBSA-N
MW207.32 g/mol
LogP2.13
Rot. Bonds5

About (3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol

(3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol (PubChem CID 143551128) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol
PubChem CID143551128
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=C)C(O)CN1CCCCC1
InChIInChI=1S/C13H21NO/c1-3-8-12(4-2)13(15)11-14-9-6-5-7-10-14/h3-4,8,13,15H,1-2,5-7,9-11H2/b12-8+
InChIKeyWYDLJCIJVGYVJY-XYOKQWHBSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-Propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol
CID 54344402
(3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol
CID 89340754
(3S,6R)-6-ethyl-1-methyl-4-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-3-ol
CID 117945283
1-Cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol
CID 118056216
1-Cyclohexa-1,5-dien-1-yl-2-[hydroxy(pentyl)amino]ethanol
CID 123788932
(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol
CID 130427649
1-(3-Methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol
CID 138601277
2-[(Dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol
CID 143199619
(2S,3E)-3-ethenyl-1-[methyl(propan-2-yl)amino]hexa-3,5-dien-2-ol
CID 143492500
Potassium;(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)-methylazanide;ethane
CID 143522607
4-(1-Hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol
CID 143615592
1-Cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol
CID 143658544

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol?
The IUPAC name of (3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol (CID 143551128) is (3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol.
What is the SMILES notation for (3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol?
The canonical SMILES for (3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol is C=C/C=C(\C=C)C(O)CN1CCCCC1.
What is the InChIKey of (3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol?
The InChIKey is WYDLJCIJVGYVJY-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-8-12(4-2)13(15)11-14-9-6-5-7-10-14/h3-4,8,13,15H,1-2,5-7,9-11H2/b12-8+.
What are the key properties of (3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol?
(3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol is sourced from PubChem (CID 143551128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).