1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine

C12H16N4 — CID 11543058

IUPAC1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine
SMILESNC1CCN(c2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C12H16N4/c13-9-3-7-16(8-4-9)11-2-6-15-12-10(11)1-5-14-12/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15)
InChIKeyZFBACGKIDNXYRK-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.49
Rot. Bonds1

About 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine

1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine (PubChem CID 11543058) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine
PubChem CID11543058
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine
SMILESNC1CCN(c2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C12H16N4/c13-9-3-7-16(8-4-9)11-2-6-15-12-10(11)1-5-14-12/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15)
InChIKeyZFBACGKIDNXYRK-UHFFFAOYSA-N
XLogP1.49
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine?
The IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine (CID 11543058) is 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine is NC1CCN(c2ccnc3[nH]ccc23)CC1.
What is the InChIKey of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine?
The InChIKey is ZFBACGKIDNXYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-9-3-7-16(8-4-9)11-2-6-15-12-10(11)1-5-14-12/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15).
What are the key properties of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine?
1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine has a molecular weight of 216.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine is sourced from PubChem (CID 11543058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).