1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine

C19H20FN3 — CID 110234760

IUPAC1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine
SMILESFc1ccccc1Cn1c(C2CCCNC2)cc2cccnc21
InChIInChI=1S/C19H20FN3/c20-17-8-2-1-5-16(17)13-23-18(15-7-3-9-21-12-15)11-14-6-4-10-22-19(14)23/h1-2,4-6,8,10-11,15,21H,3,7,9,12-13H2
InChIKeySBLXMHSRLFUKBD-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.69
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine

1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine (PubChem CID 110234760) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine
PubChem CID110234760
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine
SMILESFc1ccccc1Cn1c(C2CCCNC2)cc2cccnc21
InChIInChI=1S/C19H20FN3/c20-17-8-2-1-5-16(17)13-23-18(15-7-3-9-21-12-15)11-14-6-4-10-22-19(14)23/h1-2,4-6,8,10-11,15,21H,3,7,9,12-13H2
InChIKeySBLXMHSRLFUKBD-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine (CID 110234760) is 1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine is Fc1ccccc1Cn1c(C2CCCNC2)cc2cccnc21.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine?
The InChIKey is SBLXMHSRLFUKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c20-17-8-2-1-5-16(17)13-23-18(15-7-3-9-21-12-15)11-14-6-4-10-22-19(14)23/h1-2,4-6,8,10-11,15,21H,3,7,9,12-13H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine?
1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine has a molecular weight of 309.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 110234760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).