1-(3-diethoxyphosphorylpropyl)piperazine

C11H25N2O3P — CID 129245164

IUPAC1-(3-diethoxyphosphorylpropyl)piperazine
SMILESCCOP(=O)(CCCN1CCNCC1)OCC
InChIInChI=1S/C11H25N2O3P/c1-3-15-17(14,16-4-2)11-5-8-13-9-6-12-7-10-13/h12H,3-11H2,1-2H3
InChIKeyBCTDTWCHJPVZNU-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.55
Rot. Bonds8

About 1-(3-diethoxyphosphorylpropyl)piperazine

1-(3-diethoxyphosphorylpropyl)piperazine (PubChem CID 129245164) has the molecular formula C11H25N2O3P and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-(3-diethoxyphosphorylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-diethoxyphosphorylpropyl)piperazine
PubChem CID129245164
Molecular FormulaC11H25N2O3P
Molecular Weight264.31 g/mol
Exact Mass264.16
IUPAC Name1-(3-diethoxyphosphorylpropyl)piperazine
SMILESCCOP(=O)(CCCN1CCNCC1)OCC
InChIInChI=1S/C11H25N2O3P/c1-3-15-17(14,16-4-2)11-5-8-13-9-6-12-7-10-13/h12H,3-11H2,1-2H3
InChIKeyBCTDTWCHJPVZNU-UHFFFAOYSA-N
XLogP1.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,7-bis(diethoxyphosphorylmethyl)-1,4,7,10-tetrazacyclododecane
CID 14938693
1-(2-dimethoxyphosphorylethyl)piperazine
CID 58928996
1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine
CID 54169151
1-(diethoxyphosphorylmethyl)-1,5,9-triazacyclododecane
CID 15297442
1-tricosylpiperazine
CID 130183651
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
ethane;1-(5-methoxypentyl)piperazine;propane
CID 156802443
1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine
CID 159761394
ethane;1-octylpiperazine
CID 144711845
ethoxy-dimethyl-(3-piperazin-1-ylpropyl)silane
CID 68897887
diazanium;1-docosylpiperazine;dibromide
CID 157305429
ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate
CID 61408291

Frequently Asked Questions

What is the IUPAC name of 1-(3-diethoxyphosphorylpropyl)piperazine?
The IUPAC name of 1-(3-diethoxyphosphorylpropyl)piperazine (CID 129245164) is 1-(3-diethoxyphosphorylpropyl)piperazine.
What is the SMILES notation for 1-(3-diethoxyphosphorylpropyl)piperazine?
The canonical SMILES for 1-(3-diethoxyphosphorylpropyl)piperazine is CCOP(=O)(CCCN1CCNCC1)OCC.
What is the InChIKey of 1-(3-diethoxyphosphorylpropyl)piperazine?
The InChIKey is BCTDTWCHJPVZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2O3P/c1-3-15-17(14,16-4-2)11-5-8-13-9-6-12-7-10-13/h12H,3-11H2,1-2H3.
What are the key properties of 1-(3-diethoxyphosphorylpropyl)piperazine?
1-(3-diethoxyphosphorylpropyl)piperazine has a molecular weight of 264.31 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-diethoxyphosphorylpropyl)piperazine is sourced from PubChem (CID 129245164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).