5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine

C14H19N3O — CID 59774841

IUPAC5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC(COc2cnc3[nH]ccc3c2)CC1
InChIInChI=1S/C14H19N3O/c1-17-6-3-11(4-7-17)10-18-13-8-12-2-5-15-14(12)16-9-13/h2,5,8-9,11H,3-4,6-7,10H2,1H3,(H,15,16)
InChIKeyIJKSDTPUROUQGQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.28
Rot. Bonds3

About 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine

5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59774841) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
PubChem CID59774841
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC(COc2cnc3[nH]ccc3c2)CC1
InChIInChI=1S/C14H19N3O/c1-17-6-3-11(4-7-17)10-18-13-8-12-2-5-15-14(12)16-9-13/h2,5,8-9,11H,3-4,6-7,10H2,1H3,(H,15,16)
InChIKeyIJKSDTPUROUQGQ-UHFFFAOYSA-N
XLogP2.28
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine (CID 59774841) is 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine is CN1CCC(COc2cnc3[nH]ccc3c2)CC1.
What is the InChIKey of 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IJKSDTPUROUQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-6-3-11(4-7-17)10-18-13-8-12-2-5-15-14(12)16-9-13/h2,5,8-9,11H,3-4,6-7,10H2,1H3,(H,15,16).
What are the key properties of 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 245.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59774841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).