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

C19H20FN3 — CID 92572827

IUPAC2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccccc1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1
InChIInChI=1S/C19H20FN3/c20-17-8-2-1-5-15(17)12-23-10-4-7-16(13-23)18-11-14-6-3-9-21-19(14)22-18/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,21,22)/t16-/m1/s1
InChIKeyZLEOOIZNIZLEQH-MRXNPFEDSA-N
MW309.39 g/mol
LogP4.08
Rot. Bonds3

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

2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 92572827) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID92572827
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccccc1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1
InChIInChI=1S/C19H20FN3/c20-17-8-2-1-5-15(17)12-23-10-4-7-16(13-23)18-11-14-6-3-9-21-19(14)22-18/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,21,22)/t16-/m1/s1
InChIKeyZLEOOIZNIZLEQH-MRXNPFEDSA-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-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 92572827) is 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is Fc1ccccc1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1.
What is the InChIKey of 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZLEOOIZNIZLEQH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20FN3/c20-17-8-2-1-5-15(17)12-23-10-4-7-16(13-23)18-11-14-6-3-9-21-19(14)22-18/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,21,22)/t16-/m1/s1.
What are the key properties of 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-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-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 92572827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).