2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane

C16H25NO — CID 143581792

IUPAC2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane
SMILESCC.OCCC1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO.C2H6/c16-11-8-13-6-9-15(10-7-13)12-14-4-2-1-3-5-14;1-2/h1-6,16H,7-12H2;1-2H3
InChIKeyONEDDQFWBJJZSW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.23
Rot. Bonds4

About 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane

2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane (PubChem CID 143581792) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane.

Molecular Properties

Compound Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane
PubChem CID143581792
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane
SMILESCC.OCCC1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO.C2H6/c16-11-8-13-6-9-15(10-7-13)12-14-4-2-1-3-5-14;1-2/h1-6,16H,7-12H2;1-2H3
InChIKeyONEDDQFWBJJZSW-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane?
The IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane (CID 143581792) is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane.
What is the SMILES notation for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane?
The canonical SMILES for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane is CC.OCCC1=CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane?
The InChIKey is ONEDDQFWBJJZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C2H6/c16-11-8-13-6-9-15(10-7-13)12-14-4-2-1-3-5-14;1-2/h1-6,16H,7-12H2;1-2H3.
What are the key properties of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane?
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane has a molecular weight of 247.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane is sourced from PubChem (CID 143581792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).