1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine

C12H17N3 — CID 117223926

IUPAC1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)CCN2C1CCNCC1
InChIInChI=1S/C12H17N3/c1-2-10-5-9-15(12(10)14-6-1)11-3-7-13-8-4-11/h1-2,6,11,13H,3-5,7-9H2
InChIKeyKIVQQRAFOWZXMW-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.20
Rot. Bonds1

About 1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine

1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine (PubChem CID 117223926) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine
PubChem CID117223926
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)CCN2C1CCNCC1
InChIInChI=1S/C12H17N3/c1-2-10-5-9-15(12(10)14-6-1)11-3-7-13-8-4-11/h1-2,6,11,13H,3-5,7-9H2
InChIKeyKIVQQRAFOWZXMW-UHFFFAOYSA-N
XLogP1.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine (CID 117223926) is 1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine is c1cnc2c(c1)CCN2C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is KIVQQRAFOWZXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-10-5-9-15(12(10)14-6-1)11-3-7-13-8-4-11/h1-2,6,11,13H,3-5,7-9H2.
What are the key properties of 1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 203.29 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 117223926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).