1-benzyl-3,6-dihydro-2H-pyridin-3-ol

C12H15NO — CID 6421550

IUPAC1-benzyl-3,6-dihydro-2H-pyridin-3-ol
SMILESOC1C=CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-7,12,14H,8-10H2
InChIKeyGLQFCKBSTGMWFY-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.42
Rot. Bonds2

About 1-benzyl-3,6-dihydro-2H-pyridin-3-ol

1-benzyl-3,6-dihydro-2H-pyridin-3-ol (PubChem CID 6421550) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-benzyl-3,6-dihydro-2H-pyridin-3-ol.

Molecular Properties

Compound Name1-benzyl-3,6-dihydro-2H-pyridin-3-ol
PubChem CID6421550
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-benzyl-3,6-dihydro-2H-pyridin-3-ol
SMILESOC1C=CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-7,12,14H,8-10H2
InChIKeyGLQFCKBSTGMWFY-UHFFFAOYSA-N
XLogP1.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-3,6-dihydro-2H-pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,6-dihydro-2H-pyridin-3-ol?
The IUPAC name of 1-benzyl-3,6-dihydro-2H-pyridin-3-ol (CID 6421550) is 1-benzyl-3,6-dihydro-2H-pyridin-3-ol.
What is the SMILES notation for 1-benzyl-3,6-dihydro-2H-pyridin-3-ol?
The canonical SMILES for 1-benzyl-3,6-dihydro-2H-pyridin-3-ol is OC1C=CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3,6-dihydro-2H-pyridin-3-ol?
The InChIKey is GLQFCKBSTGMWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-7,12,14H,8-10H2.
What are the key properties of 1-benzyl-3,6-dihydro-2H-pyridin-3-ol?
1-benzyl-3,6-dihydro-2H-pyridin-3-ol has a molecular weight of 189.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,6-dihydro-2H-pyridin-3-ol is sourced from PubChem (CID 6421550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).