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

C14H19NO — CID 19900296

IUPAC1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
SMILESCC(O)C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO/c1-12(16)14-7-9-15(10-8-14)11-13-5-3-2-4-6-13/h2-7,12,16H,8-11H2,1H3
InChIKeyBFESWSFXYASHBD-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.20
Rot. Bonds3

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

1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol (PubChem CID 19900296) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
PubChem CID19900296
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
SMILESCC(O)C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO/c1-12(16)14-7-9-15(10-8-14)11-13-5-3-2-4-6-13/h2-7,12,16H,8-11H2,1H3
InChIKeyBFESWSFXYASHBD-UHFFFAOYSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 174101537
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane
CID 143581792
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine;2-chloropropane;dihydrochloride
CID 75485433
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine
CID 117205735
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10330491
1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine
CID 11821785
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
3-amino-2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)but-2-enenitrile
CID 69270094
ethyl 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 13349686
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 22499416
1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine
CID 178156806

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
The IUPAC name of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol (CID 19900296) is 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol.
What is the SMILES notation for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
The canonical SMILES for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol is CC(O)C1=CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
The InChIKey is BFESWSFXYASHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-12(16)14-7-9-15(10-8-14)11-13-5-3-2-4-6-13/h2-7,12,16H,8-11H2,1H3.
What are the key properties of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol has a molecular weight of 217.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol is sourced from PubChem (CID 19900296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).