2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine

C21H26N2O — CID 110254690

IUPAC2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
SMILESc1ccc(Cc2cccc(C3CCCN3C3CCOCC3)n2)cc1
InChIInChI=1S/C21H26N2O/c1-2-6-17(7-3-1)16-18-8-4-9-20(22-18)21-10-5-13-23(21)19-11-14-24-15-12-19/h1-4,6-9,19,21H,5,10-16H2
InChIKeyKJFKQSIWOYDXIV-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.99
Rot. Bonds4

About 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine

2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine (PubChem CID 110254690) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
PubChem CID110254690
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
SMILESc1ccc(Cc2cccc(C3CCCN3C3CCOCC3)n2)cc1
InChIInChI=1S/C21H26N2O/c1-2-6-17(7-3-1)16-18-8-4-9-20(22-18)21-10-5-13-23(21)19-11-14-24-15-12-19/h1-4,6-9,19,21H,5,10-16H2
InChIKeyKJFKQSIWOYDXIV-UHFFFAOYSA-N
XLogP3.99
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
CID 95818393
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 95818430
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 110249875
2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine
CID 95810440
2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110254506
2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 95817930
1-[4-[2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 110254712
2-[(4-fluorophenyl)methyl]-6-(1-methylpyrrolidin-2-yl)pyridine
CID 110254377

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine (CID 110254690) is 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine is c1ccc(Cc2cccc(C3CCCN3C3CCOCC3)n2)cc1.
What is the InChIKey of 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine?
The InChIKey is KJFKQSIWOYDXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-6-17(7-3-1)16-18-8-4-9-20(22-18)21-10-5-13-23(21)19-11-14-24-15-12-19/h1-4,6-9,19,21H,5,10-16H2.
What are the key properties of 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine?
2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine has a molecular weight of 322.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 110254690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).