4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride

C15H18ClNO2 — CID 70656449

IUPAC4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride
SMILESC1=C(Cc2ccccc2)CCN(C2=COCO2)C1.Cl
InChIInChI=1S/C15H17NO2.ClH/c1-2-4-13(5-3-1)10-14-6-8-16(9-7-14)15-11-17-12-18-15;/h1-6,11H,7-10,12H2;1H
InChIKeyIVJXLOLSDDUZOJ-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.09
Rot. Bonds3

About 4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride

4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride (PubChem CID 70656449) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride
PubChem CID70656449
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride
SMILESC1=C(Cc2ccccc2)CCN(C2=COCO2)C1.Cl
InChIInChI=1S/C15H17NO2.ClH/c1-2-4-13(5-3-1)10-14-6-8-16(9-7-14)15-11-17-12-18-15;/h1-6,11H,7-10,12H2;1H
InChIKeyIVJXLOLSDDUZOJ-UHFFFAOYSA-N
XLogP3.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride?
The IUPAC name of 4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride (CID 70656449) is 4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride.
What is the SMILES notation for 4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride?
The canonical SMILES for 4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride is C1=C(Cc2ccccc2)CCN(C2=COCO2)C1.Cl.
What is the InChIKey of 4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride?
The InChIKey is IVJXLOLSDDUZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.ClH/c1-2-4-13(5-3-1)10-14-6-8-16(9-7-14)15-11-17-12-18-15;/h1-6,11H,7-10,12H2;1H.
What are the key properties of 4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride?
4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(1,3-dioxol-4-yl)-3,6-dihydro-2H-pyridine;hydrochloride is sourced from PubChem (CID 70656449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).