1-benzyl-3,6-dihydro-2H-pyridine

C12H15N — CID 6421573

IUPAC1-benzyl-3,6-dihydro-2H-pyridine
SMILESC1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C12H15N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-5,7-8H,6,9-11H2
InChIKeySIRJFTFGHZXRRZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.45
Rot. Bonds2

About 1-benzyl-3,6-dihydro-2H-pyridine

1-benzyl-3,6-dihydro-2H-pyridine (PubChem CID 6421573) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-benzyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-3,6-dihydro-2H-pyridine
PubChem CID6421573
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-benzyl-3,6-dihydro-2H-pyridine
SMILESC1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C12H15N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-5,7-8H,6,9-11H2
InChIKeySIRJFTFGHZXRRZ-UHFFFAOYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-benzyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-3,6-dihydro-2H-pyridine (CID 6421573) is 1-benzyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-3,6-dihydro-2H-pyridine is C1=CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-3,6-dihydro-2H-pyridine?
The InChIKey is SIRJFTFGHZXRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-5,7-8H,6,9-11H2.
What are the key properties of 1-benzyl-3,6-dihydro-2H-pyridine?
1-benzyl-3,6-dihydro-2H-pyridine has a molecular weight of 173.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 6421573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).