2-piperidin-4-ylpyrrol-2-amine

C9H15N3 — CID 57461956

IUPAC2-piperidin-4-ylpyrrol-2-amine
SMILESNC1(C2CCNCC2)C=CC=N1
InChIInChI=1S/C9H15N3/c10-9(4-1-5-12-9)8-2-6-11-7-3-8/h1,4-5,8,11H,2-3,6-7,10H2
InChIKeyUNOYHIDOQSRUDX-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.28
Rot. Bonds1

About 2-piperidin-4-ylpyrrol-2-amine

2-piperidin-4-ylpyrrol-2-amine (PubChem CID 57461956) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-piperidin-4-ylpyrrol-2-amine.

Molecular Properties

Compound Name2-piperidin-4-ylpyrrol-2-amine
PubChem CID57461956
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-piperidin-4-ylpyrrol-2-amine
SMILESNC1(C2CCNCC2)C=CC=N1
InChIInChI=1S/C9H15N3/c10-9(4-1-5-12-9)8-2-6-11-7-3-8/h1,4-5,8,11H,2-3,6-7,10H2
InChIKeyUNOYHIDOQSRUDX-UHFFFAOYSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpyrrol-2-amine?
The IUPAC name of 2-piperidin-4-ylpyrrol-2-amine (CID 57461956) is 2-piperidin-4-ylpyrrol-2-amine.
What is the SMILES notation for 2-piperidin-4-ylpyrrol-2-amine?
The canonical SMILES for 2-piperidin-4-ylpyrrol-2-amine is NC1(C2CCNCC2)C=CC=N1.
What is the InChIKey of 2-piperidin-4-ylpyrrol-2-amine?
The InChIKey is UNOYHIDOQSRUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-9(4-1-5-12-9)8-2-6-11-7-3-8/h1,4-5,8,11H,2-3,6-7,10H2.
What are the key properties of 2-piperidin-4-ylpyrrol-2-amine?
2-piperidin-4-ylpyrrol-2-amine has a molecular weight of 165.24 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpyrrol-2-amine is sourced from PubChem (CID 57461956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).