5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine

C18H22N2O — CID 10636648

IUPAC5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
SMILESc1ccc(Cc2ccc(OCCN3CCCC3)nc2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-16(7-3-1)14-17-8-9-18(19-15-17)21-13-12-20-10-4-5-11-20/h1-3,6-9,15H,4-5,10-14H2
InChIKeyMCGFOOXUAVKEAY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.15
Rot. Bonds6

About 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine

5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine (PubChem CID 10636648) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine.

Molecular Properties

Compound Name5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
PubChem CID10636648
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
SMILESc1ccc(Cc2ccc(OCCN3CCCC3)nc2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-16(7-3-1)14-17-8-9-18(19-15-17)21-13-12-20-10-4-5-11-20/h1-3,6-9,15H,4-5,10-14H2
InChIKeyMCGFOOXUAVKEAY-UHFFFAOYSA-N
XLogP3.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine?
The IUPAC name of 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine (CID 10636648) is 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine.
What is the SMILES notation for 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine?
The canonical SMILES for 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine is c1ccc(Cc2ccc(OCCN3CCCC3)nc2)cc1.
What is the InChIKey of 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine?
The InChIKey is MCGFOOXUAVKEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-6-16(7-3-1)14-17-8-9-18(19-15-17)21-13-12-20-10-4-5-11-20/h1-3,6-9,15H,4-5,10-14H2.
What are the key properties of 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine?
5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine has a molecular weight of 282.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)pyridine is sourced from PubChem (CID 10636648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).