dimethyl piperazin-1-yl phosphate

C6H15N2O4P — CID 175316029

IUPACdimethyl piperazin-1-yl phosphate
SMILESCOP(=O)(OC)ON1CCNCC1
InChIInChI=1S/C6H15N2O4P/c1-10-13(9,11-2)12-8-5-3-7-4-6-8/h7H,3-6H2,1-2H3
InChIKeyMZKAJTDCNIIZJR-UHFFFAOYSA-N
MW210.17 g/mol
LogP0.22
Rot. Bonds4

About dimethyl piperazin-1-yl phosphate

dimethyl piperazin-1-yl phosphate (PubChem CID 175316029) has the molecular formula C6H15N2O4P and a molecular weight of 210.17 g/mol. Its IUPAC name is dimethyl piperazin-1-yl phosphate.

Molecular Properties

Compound Namedimethyl piperazin-1-yl phosphate
PubChem CID175316029
Molecular FormulaC6H15N2O4P
Molecular Weight210.17 g/mol
Exact Mass210.08
IUPAC Namedimethyl piperazin-1-yl phosphate
SMILESCOP(=O)(OC)ON1CCNCC1
InChIInChI=1S/C6H15N2O4P/c1-10-13(9,11-2)12-8-5-3-7-4-6-8/h7H,3-6H2,1-2H3
InChIKeyMZKAJTDCNIIZJR-UHFFFAOYSA-N
XLogP0.22
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methane;1-methoxypiperazine
CID 142233800
ethane;1-methoxypiperazine
CID 142806936
methane;1-methoxypiperazine
CID 157354149
sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate
CID 173148835
[methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate
CID 174854285
1-(2-dimethoxyphosphorylethyl)piperazine
CID 58928996
1-piperazin-1-yloxypiperazine;dihydrochloride
CID 174358981
piperazin-1-yl acetate
CID 54492305
phosphono piperazin-1-yl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine
CID 174403332
dipiperazin-1-yl oxalate
CID 57296724
phosphonooxy(piperazin-1-yloxy)borinic acid
CID 175197944
dimethyl (2,2,6,6-tetramethylpiperidin-1-yl) phosphate
CID 100962421

Frequently Asked Questions

What is the IUPAC name of dimethyl piperazin-1-yl phosphate?
The IUPAC name of dimethyl piperazin-1-yl phosphate (CID 175316029) is dimethyl piperazin-1-yl phosphate.
What is the SMILES notation for dimethyl piperazin-1-yl phosphate?
The canonical SMILES for dimethyl piperazin-1-yl phosphate is COP(=O)(OC)ON1CCNCC1.
What is the InChIKey of dimethyl piperazin-1-yl phosphate?
The InChIKey is MZKAJTDCNIIZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2O4P/c1-10-13(9,11-2)12-8-5-3-7-4-6-8/h7H,3-6H2,1-2H3.
What are the key properties of dimethyl piperazin-1-yl phosphate?
dimethyl piperazin-1-yl phosphate has a molecular weight of 210.17 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl piperazin-1-yl phosphate is sourced from PubChem (CID 175316029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).