1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine

C16H23N — CID 174101537

IUPAC1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H23N/c1-14(2)16-9-12-17(13-10-16)11-8-15-6-4-3-5-7-15/h3-7,9,14H,8,10-13H2,1-2H3
InChIKeyRITAARJWXYSKQD-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.52
Rot. Bonds4

About 1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine

1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 174101537) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID174101537
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H23N/c1-14(2)16-9-12-17(13-10-16)11-8-15-6-4-3-5-7-15/h3-7,9,14H,8,10-13H2,1-2H3
InChIKeyRITAARJWXYSKQD-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine 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-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine (CID 174101537) is 1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)C1=CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is RITAARJWXYSKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-14(2)16-9-12-17(13-10-16)11-8-15-6-4-3-5-7-15/h3-7,9,14H,8,10-13H2,1-2H3.
What are the key properties of 1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine?
1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 229.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 174101537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).