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

C12H16N4 — CID 121426655

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine
SMILESNN1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C12H16N4/c13-16-6-3-9(4-7-16)11-8-15-12-10(11)2-1-5-14-12/h1-2,5,8-9H,3-4,6-7,13H2,(H,14,15)
InChIKeyVUDJFVJMRDNMCM-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.62
Rot. Bonds1

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

4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine (PubChem CID 121426655) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine
PubChem CID121426655
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine
SMILESNN1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C12H16N4/c13-16-6-3-9(4-7-16)11-8-15-12-10(11)2-1-5-14-12/h1-2,5,8-9H,3-4,6-7,13H2,(H,14,15)
InChIKeyVUDJFVJMRDNMCM-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine (CID 121426655) is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine is NN1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine?
The InChIKey is VUDJFVJMRDNMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-16-6-3-9(4-7-16)11-8-15-12-10(11)2-1-5-14-12/h1-2,5,8-9H,3-4,6-7,13H2,(H,14,15).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine?
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine is sourced from PubChem (CID 121426655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).