2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol

C9H17NO — CID 117205617

IUPAC2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
SMILESCCN1CC=C(CCO)CC1
InChIInChI=1S/C9H17NO/c1-2-10-6-3-9(4-7-10)5-8-11/h3,11H,2,4-8H2,1H3
InChIKeyOLYBUYBOJFJBCZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds3

About 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol

2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol (PubChem CID 117205617) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
PubChem CID117205617
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
SMILESCCN1CC=C(CCO)CC1
InChIInChI=1S/C9H17NO/c1-2-10-6-3-9(4-7-10)5-8-11/h3,11H,2,4-8H2,1H3
InChIKeyOLYBUYBOJFJBCZ-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 13362457
2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
CID 21027121
actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
CID 21027122
4-(2-methoxyethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 21615236
3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-propan-1-ol
CID 57434761
2-[1-(6-Methylhepta-1,3,4,6-tetraen-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]ethanol
CID 91138051
5-(2,3,6,7-Tetrahydroazepin-1-yl)pentan-1-ol
CID 123963373
2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
CID 130124494
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol
CID 139362657
3-Methylidene-5-[methyl(propyl)amino]pentan-1-ol
CID 142034363
5-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]pentan-1-ol
CID 145797530
2-(1-Propan-2-yl-2,3,6,7-tetrahydroazepin-4-yl)ethanol
CID 149053417

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
The IUPAC name of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol (CID 117205617) is 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol.
What is the SMILES notation for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
The canonical SMILES for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol is CCN1CC=C(CCO)CC1.
What is the InChIKey of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
The InChIKey is OLYBUYBOJFJBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-10-6-3-9(4-7-10)5-8-11/h3,11H,2,4-8H2,1H3.
What are the key properties of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol is sourced from PubChem (CID 117205617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).