1-(2-dimethoxyphosphorylethyl)piperazine

C8H19N2O3P — CID 58928996

IUPAC1-(2-dimethoxyphosphorylethyl)piperazine
SMILESCOP(=O)(CCN1CCNCC1)OC
InChIInChI=1S/C8H19N2O3P/c1-12-14(11,13-2)8-7-10-5-3-9-4-6-10/h9H,3-8H2,1-2H3
InChIKeySXHQSPYPKNRJNY-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.38
Rot. Bonds5

About 1-(2-dimethoxyphosphorylethyl)piperazine

1-(2-dimethoxyphosphorylethyl)piperazine (PubChem CID 58928996) has the molecular formula C8H19N2O3P and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-(2-dimethoxyphosphorylethyl)piperazine.

Molecular Properties

Compound Name1-(2-dimethoxyphosphorylethyl)piperazine
PubChem CID58928996
Molecular FormulaC8H19N2O3P
Molecular Weight222.22 g/mol
Exact Mass222.11
IUPAC Name1-(2-dimethoxyphosphorylethyl)piperazine
SMILESCOP(=O)(CCN1CCNCC1)OC
InChIInChI=1S/C8H19N2O3P/c1-12-14(11,13-2)8-7-10-5-3-9-4-6-10/h9H,3-8H2,1-2H3
InChIKeySXHQSPYPKNRJNY-UHFFFAOYSA-N
XLogP0.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-(2-dimethoxyphosphorylethyl)piperazine 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-(3-diethoxyphosphorylpropyl)piperazine
CID 129245164
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
1,7-bis(diethoxyphosphorylmethyl)-1,4,7,10-tetrazacyclododecane
CID 14938693
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate
CID 164933248
ethane;1-(5-methoxypentyl)piperazine;propane
CID 156802443
methane;2-piperazin-1-ylethanamine
CID 160655027
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
trimethoxy(3-piperazin-1-ylpropyl)silane
CID 12841680
hydron;1-propylpiperazine;dibromide
CID 91980567
dimethyl piperazin-1-yl phosphate
CID 175316029
N-(2-methoxyethyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 54972243

Frequently Asked Questions

What is the IUPAC name of 1-(2-dimethoxyphosphorylethyl)piperazine?
The IUPAC name of 1-(2-dimethoxyphosphorylethyl)piperazine (CID 58928996) is 1-(2-dimethoxyphosphorylethyl)piperazine.
What is the SMILES notation for 1-(2-dimethoxyphosphorylethyl)piperazine?
The canonical SMILES for 1-(2-dimethoxyphosphorylethyl)piperazine is COP(=O)(CCN1CCNCC1)OC.
What is the InChIKey of 1-(2-dimethoxyphosphorylethyl)piperazine?
The InChIKey is SXHQSPYPKNRJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O3P/c1-12-14(11,13-2)8-7-10-5-3-9-4-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-dimethoxyphosphorylethyl)piperazine?
1-(2-dimethoxyphosphorylethyl)piperazine has a molecular weight of 222.22 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dimethoxyphosphorylethyl)piperazine is sourced from PubChem (CID 58928996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).