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

C16H23N3 — CID 118668628

IUPAC2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine
SMILESCC(C)c1ccc2c(n1)=CC(C1CCN(C)CC1)N=2
InChIInChI=1S/C16H23N3/c1-11(2)13-4-5-14-16(17-13)10-15(18-14)12-6-8-19(3)9-7-12/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyNZQWBEWKQAPWMV-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.33
Rot. Bonds2

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

2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine (PubChem CID 118668628) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine
PubChem CID118668628
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine
SMILESCC(C)c1ccc2c(n1)=CC(C1CCN(C)CC1)N=2
InChIInChI=1S/C16H23N3/c1-11(2)13-4-5-14-16(17-13)10-15(18-14)12-6-8-19(3)9-7-12/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyNZQWBEWKQAPWMV-UHFFFAOYSA-N
XLogP1.33
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine (CID 118668628) is 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine is CC(C)c1ccc2c(n1)=CC(C1CCN(C)CC1)N=2.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine?
The InChIKey is NZQWBEWKQAPWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)13-4-5-14-16(17-13)10-15(18-14)12-6-8-19(3)9-7-12/h4-5,10-12,15H,6-9H2,1-3H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine?
2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine has a molecular weight of 257.38 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-2H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118668628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).