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

C19H20FN3 — CID 89479222

IUPAC2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(CN2CCCCC2c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C19H20FN3/c20-16-8-6-14(7-9-16)13-23-11-2-1-5-18(23)17-12-15-4-3-10-21-19(15)22-17/h3-4,6-10,12,18H,1-2,5,11,13H2,(H,21,22)
InChIKeyKEBDUNPSGZPUJD-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.43
Rot. Bonds3

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

2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 89479222) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID89479222
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(CN2CCCCC2c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C19H20FN3/c20-16-8-6-14(7-9-16)13-23-11-2-1-5-18(23)17-12-15-4-3-10-21-19(15)22-17/h3-4,6-10,12,18H,1-2,5,11,13H2,(H,21,22)
InChIKeyKEBDUNPSGZPUJD-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
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-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine (CID 89479222) is 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(CN2CCCCC2c2cc3cccnc3[nH]2)cc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KEBDUNPSGZPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c20-16-8-6-14(7-9-16)13-23-11-2-1-5-18(23)17-12-15-4-3-10-21-19(15)22-17/h3-4,6-10,12,18H,1-2,5,11,13H2,(H,21,22).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 309.39 g/mol, XLogP of 4.43, 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-2-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89479222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).