2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine

C19H20FN3 — CID 110236450

IUPAC2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESFc1ccc(CN2CCCC(c3cc4ncccc4[nH]3)C2)cc1
InChIInChI=1S/C19H20FN3/c20-16-7-5-14(6-8-16)12-23-10-2-3-15(13-23)18-11-19-17(22-18)4-1-9-21-19/h1,4-9,11,15,22H,2-3,10,12-13H2
InChIKeyMUCQFJCRMQYRMZ-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.08
Rot. Bonds3

About 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine

2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 110236450) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID110236450
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESFc1ccc(CN2CCCC(c3cc4ncccc4[nH]3)C2)cc1
InChIInChI=1S/C19H20FN3/c20-16-7-5-14(6-8-16)12-23-10-2-3-15(13-23)18-11-19-17(22-18)4-1-9-21-19/h1,4-9,11,15,22H,2-3,10,12-13H2
InChIKeyMUCQFJCRMQYRMZ-UHFFFAOYSA-N
XLogP4.08
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine (CID 110236450) is 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine is Fc1ccc(CN2CCCC(c3cc4ncccc4[nH]3)C2)cc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is MUCQFJCRMQYRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c20-16-7-5-14(6-8-16)12-23-10-2-3-15(13-23)18-11-19-17(22-18)4-1-9-21-19/h1,4-9,11,15,22H,2-3,10,12-13H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine?
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 309.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 110236450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).