diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium

C10H22N3O2+ — CID 173075950

IUPACdiethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium
SMILESCC[N+](O)(CC)C(=O)CN1CCNCC1
InChIInChI=1S/C10H22N3O2/c1-3-13(15,4-2)10(14)9-12-7-5-11-6-8-12/h11,15H,3-9H2,1-2H3/q+1
InChIKeyPOKRNZUJFGMUOK-UHFFFAOYSA-N
MW216.30 g/mol
LogP-0.34
Rot. Bonds4

About diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium

diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium (PubChem CID 173075950) has the molecular formula C10H22N3O2+ and a molecular weight of 216.30 g/mol. Its IUPAC name is diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium.

Molecular Properties

Compound Namediethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium
PubChem CID173075950
Molecular FormulaC10H22N3O2+
Molecular Weight216.30 g/mol
Exact Mass216.17
IUPAC Namediethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium
SMILESCC[N+](O)(CC)C(=O)CN1CCNCC1
InChIInChI=1S/C10H22N3O2/c1-3-13(15,4-2)10(14)9-12-7-5-11-6-8-12/h11,15H,3-9H2,1-2H3/q+1
InChIKeyPOKRNZUJFGMUOK-UHFFFAOYSA-N
XLogP-0.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium with MolForge

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

Launch Full Analysis

Related Compounds

1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
CID 140659696
CID 140659696
1-piperazin-1-ylbutan-2-one;hydrochloride
CID 69258100
ethane;2-piperazin-1-ylacetic acid
CID 143723779
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
2-piperazin-1-ylacetyl iodide
CID 153235141
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
CID 18547144
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
cesium 2-piperazin-1-ylacetate
CID 143618324
(Z)-but-2-enedioic acid;1-ethylpiperazine
CID 175604137

Frequently Asked Questions

What is the IUPAC name of diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium?
The IUPAC name of diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium (CID 173075950) is diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium.
What is the SMILES notation for diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium?
The canonical SMILES for diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium is CC[N+](O)(CC)C(=O)CN1CCNCC1.
What is the InChIKey of diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium?
The InChIKey is POKRNZUJFGMUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3O2/c1-3-13(15,4-2)10(14)9-12-7-5-11-6-8-12/h11,15H,3-9H2,1-2H3/q+1.
What are the key properties of diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium?
diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium has a molecular weight of 216.30 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium is sourced from PubChem (CID 173075950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).