4-piperazin-1-ylbutan-2-yl 2-aminoacetate

C10H21N3O2 — CID 67470130

IUPAC4-piperazin-1-ylbutan-2-yl 2-aminoacetate
SMILESCC(CCN1CCNCC1)OC(=O)CN
InChIInChI=1S/C10H21N3O2/c1-9(15-10(14)8-11)2-5-13-6-3-12-4-7-13/h9,12H,2-8,11H2,1H3
InChIKeyBRAJFECNLLGCEX-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.83
Rot. Bonds5

About 4-piperazin-1-ylbutan-2-yl 2-aminoacetate

4-piperazin-1-ylbutan-2-yl 2-aminoacetate (PubChem CID 67470130) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-piperazin-1-ylbutan-2-yl 2-aminoacetate.

Molecular Properties

Compound Name4-piperazin-1-ylbutan-2-yl 2-aminoacetate
PubChem CID67470130
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name4-piperazin-1-ylbutan-2-yl 2-aminoacetate
SMILESCC(CCN1CCNCC1)OC(=O)CN
InChIInChI=1S/C10H21N3O2/c1-9(15-10(14)8-11)2-5-13-6-3-12-4-7-13/h9,12H,2-8,11H2,1H3
InChIKeyBRAJFECNLLGCEX-UHFFFAOYSA-N
XLogP-0.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-piperazin-1-ylbutan-2-yl 2-aminoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylbutan-2-yl 2-aminoacetate?
The IUPAC name of 4-piperazin-1-ylbutan-2-yl 2-aminoacetate (CID 67470130) is 4-piperazin-1-ylbutan-2-yl 2-aminoacetate.
What is the SMILES notation for 4-piperazin-1-ylbutan-2-yl 2-aminoacetate?
The canonical SMILES for 4-piperazin-1-ylbutan-2-yl 2-aminoacetate is CC(CCN1CCNCC1)OC(=O)CN.
What is the InChIKey of 4-piperazin-1-ylbutan-2-yl 2-aminoacetate?
The InChIKey is BRAJFECNLLGCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-9(15-10(14)8-11)2-5-13-6-3-12-4-7-13/h9,12H,2-8,11H2,1H3.
What are the key properties of 4-piperazin-1-ylbutan-2-yl 2-aminoacetate?
4-piperazin-1-ylbutan-2-yl 2-aminoacetate has a molecular weight of 215.30 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylbutan-2-yl 2-aminoacetate is sourced from PubChem (CID 67470130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).