4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one

C10H14N4O — CID 62925510

IUPAC4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one
SMILESNCc1cc(N2CCNC(=O)C2)ccn1
InChIInChI=1S/C10H14N4O/c11-6-8-5-9(1-2-12-8)14-4-3-13-10(15)7-14/h1-2,5H,3-4,6-7,11H2,(H,13,15)
InChIKeyAGNRXFCVECJOTN-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.52
Rot. Bonds2

About 4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one

4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one (PubChem CID 62925510) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one
PubChem CID62925510
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one
SMILESNCc1cc(N2CCNC(=O)C2)ccn1
InChIInChI=1S/C10H14N4O/c11-6-8-5-9(1-2-12-8)14-4-3-13-10(15)7-14/h1-2,5H,3-4,6-7,11H2,(H,13,15)
InChIKeyAGNRXFCVECJOTN-UHFFFAOYSA-N
XLogP-0.52
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one (CID 62925510) is 4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one is NCc1cc(N2CCNC(=O)C2)ccn1.
What is the InChIKey of 4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one?
The InChIKey is AGNRXFCVECJOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-6-8-5-9(1-2-12-8)14-4-3-13-10(15)7-14/h1-2,5H,3-4,6-7,11H2,(H,13,15).
What are the key properties of 4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one?
4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one has a molecular weight of 206.25 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one is sourced from PubChem (CID 62925510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).