1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine

C14H32N2O6P2 — CID 54169151

IUPAC1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine
SMILESCCOP(=O)(OCC)C(CN1CCNCC1)P(=O)(OCC)OCC
InChIInChI=1S/C14H32N2O6P2/c1-5-19-23(17,20-6-2)14(13-16-11-9-15-10-12-16)24(18,21-7-3)22-8-4/h14-15H,5-13H2,1-4H3
InChIKeyOTUHCUWYCOFCPL-UHFFFAOYSA-N
MW386.37 g/mol
LogP2.75
Rot. Bonds12

About 1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine

1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine (PubChem CID 54169151) has the molecular formula C14H32N2O6P2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine
PubChem CID54169151
Molecular FormulaC14H32N2O6P2
Molecular Weight386.37 g/mol
Exact Mass386.17
IUPAC Name1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine
SMILESCCOP(=O)(OCC)C(CN1CCNCC1)P(=O)(OCC)OCC
InChIInChI=1S/C14H32N2O6P2/c1-5-19-23(17,20-6-2)14(13-16-11-9-15-10-12-16)24(18,21-7-3)22-8-4/h14-15H,5-13H2,1-4H3
InChIKeyOTUHCUWYCOFCPL-UHFFFAOYSA-N
XLogP2.75
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

10-[2,2-bis(diethoxyphosphoryl)ethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 87791716
1,7-bis(diethoxyphosphorylmethyl)-1,4,7,10-tetrazacyclododecane
CID 14938693
1-(3-diethoxyphosphorylpropyl)piperazine
CID 129245164
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
methane;1-(2-methylpropyl)piperazine
CID 167537973
1-(diethoxyphosphorylmethyl)-1,5,9-triazacyclododecane
CID 15297442
triethoxy-(2-methyl-3-piperazin-1-ylpropyl)silane
CID 23150078
1,1,2-tris(diethoxyphosphoryl)ethane
CID 10160299
1-(aziridin-1-yl)propan-2-yl diethyl phosphate
CID 2784441
1-[2-methoxy-3-[2-methoxy-3-(1,4,7,10-tetrazacyclododec-1-yl)propoxy]propyl]-1,4,7,10-tetrazacyclododecane
CID 18924355
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol
CID 83708214

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine?
The IUPAC name of 1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine (CID 54169151) is 1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine.
What is the SMILES notation for 1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine?
The canonical SMILES for 1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine is CCOP(=O)(OCC)C(CN1CCNCC1)P(=O)(OCC)OCC.
What is the InChIKey of 1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine?
The InChIKey is OTUHCUWYCOFCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O6P2/c1-5-19-23(17,20-6-2)14(13-16-11-9-15-10-12-16)24(18,21-7-3)22-8-4/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine?
1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine has a molecular weight of 386.37 g/mol, XLogP of 2.75, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine is sourced from PubChem (CID 54169151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).