4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one

C10H14N4O — CID 99989750

IUPAC4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one
SMILESNCc1cnccc1N1CCNC(=O)C1
InChIInChI=1S/C10H14N4O/c11-5-8-6-12-2-1-9(8)14-4-3-13-10(15)7-14/h1-2,6H,3-5,7,11H2,(H,13,15)
InChIKeyJOYKMBZREJMNGY-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.52
Rot. Bonds2

About 4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one

4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one (PubChem CID 99989750) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one
PubChem CID99989750
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one
SMILESNCc1cnccc1N1CCNC(=O)C1
InChIInChI=1S/C10H14N4O/c11-5-8-6-12-2-1-9(8)14-4-3-13-10(15)7-14/h1-2,6H,3-5,7,11H2,(H,13,15)
InChIKeyJOYKMBZREJMNGY-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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Related Compounds

[4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 81248717
4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one
CID 62925510
4-(2-amino-3-pyridinyl)piperazin-2-one
CID 104539681
4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one
CID 168513641
4-[2-(ethylaminomethyl)phenyl]piperazin-2-one
CID 43281159
4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one
CID 171326741
4-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]piperazin-2-one
CID 165132808
4-(6-aminopyrazin-2-yl)piperazin-2-one
CID 78988933
4-[4-(2-aminoethyl)phenyl]piperazin-2-one
CID 83822156
2-(4-morpholin-4-yl-3-pyridinyl)ethanamine
CID 83883289
4-(5-aminopyrimidin-4-yl)piperazin-2-one
CID 79910176
4-(4-amino-2-fluorophenyl)piperazin-2-one
CID 28972585

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one (CID 99989750) is 4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one is NCc1cnccc1N1CCNC(=O)C1.
What is the InChIKey of 4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one?
The InChIKey is JOYKMBZREJMNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-5-8-6-12-2-1-9(8)14-4-3-13-10(15)7-14/h1-2,6H,3-5,7,11H2,(H,13,15).
What are the key properties of 4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one?
4-[3-(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-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one is sourced from PubChem (CID 99989750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).