2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine

C21H25FN2O — CID 95818393

IUPAC2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
SMILESFc1ccc(Cc2cccc([C@H]3CCCN3C3CCOCC3)n2)cc1
InChIInChI=1S/C21H25FN2O/c22-17-8-6-16(7-9-17)15-18-3-1-4-20(23-18)21-5-2-12-24(21)19-10-13-25-14-11-19/h1,3-4,6-9,19,21H,2,5,10-15H2/t21-/m1/s1
InChIKeyYXQJQMSSXHZNFZ-OAQYLSRUSA-N
MW340.44 g/mol
LogP4.13
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine

2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine (PubChem CID 95818393) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
PubChem CID95818393
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
SMILESFc1ccc(Cc2cccc([C@H]3CCCN3C3CCOCC3)n2)cc1
InChIInChI=1S/C21H25FN2O/c22-17-8-6-16(7-9-17)15-18-3-1-4-20(23-18)21-5-2-12-24(21)19-10-13-25-14-11-19/h1,3-4,6-9,19,21H,2,5,10-15H2/t21-/m1/s1
InChIKeyYXQJQMSSXHZNFZ-OAQYLSRUSA-N
XLogP4.13
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
CID 110254690
2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine
CID 95810440
2-[(4-fluorophenyl)methyl]-6-(1-methylpyrrolidin-2-yl)pyridine
CID 110254377
2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95817970
2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110254506
[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110254532
1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110254562
2-(4-fluorophenyl)-1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110254606
2-[(4-fluorophenyl)methyl]-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine
CID 95809288
1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 95818430
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
1-[4-[2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 110254712

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine (CID 95818393) is 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine is Fc1ccc(Cc2cccc([C@H]3CCCN3C3CCOCC3)n2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine?
The InChIKey is YXQJQMSSXHZNFZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25FN2O/c22-17-8-6-16(7-9-17)15-18-3-1-4-20(23-18)21-5-2-12-24(21)19-10-13-25-14-11-19/h1,3-4,6-9,19,21H,2,5,10-15H2/t21-/m1/s1.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine?
2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine has a molecular weight of 340.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95818393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).