piperazin-1-yl dihydrogen phosphate

C4H11N2O4P — CID 57178782

IUPACpiperazin-1-yl dihydrogen phosphate
SMILESO=P(O)(O)ON1CCNCC1
InChIInChI=1S/C4H11N2O4P/c7-11(8,9)10-6-3-1-5-2-4-6/h5H,1-4H2,(H2,7,8,9)
InChIKeyCWTBMSNQZBFDIY-UHFFFAOYSA-N
MW182.12 g/mol
LogP-1.08
Rot. Bonds2

About piperazin-1-yl dihydrogen phosphate

piperazin-1-yl dihydrogen phosphate (PubChem CID 57178782) has the molecular formula C4H11N2O4P and a molecular weight of 182.12 g/mol. Its IUPAC name is piperazin-1-yl dihydrogen phosphate.

Molecular Properties

Compound Namepiperazin-1-yl dihydrogen phosphate
PubChem CID57178782
Molecular FormulaC4H11N2O4P
Molecular Weight182.12 g/mol
Exact Mass182.05
IUPAC Namepiperazin-1-yl dihydrogen phosphate
SMILESO=P(O)(O)ON1CCNCC1
InChIInChI=1S/C4H11N2O4P/c7-11(8,9)10-6-3-1-5-2-4-6/h5H,1-4H2,(H2,7,8,9)
InChIKeyCWTBMSNQZBFDIY-UHFFFAOYSA-N
XLogP-1.08
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl dihydrogen phosphate?
The IUPAC name of piperazin-1-yl dihydrogen phosphate (CID 57178782) is piperazin-1-yl dihydrogen phosphate.
What is the SMILES notation for piperazin-1-yl dihydrogen phosphate?
The canonical SMILES for piperazin-1-yl dihydrogen phosphate is O=P(O)(O)ON1CCNCC1.
What is the InChIKey of piperazin-1-yl dihydrogen phosphate?
The InChIKey is CWTBMSNQZBFDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N2O4P/c7-11(8,9)10-6-3-1-5-2-4-6/h5H,1-4H2,(H2,7,8,9).
What are the key properties of piperazin-1-yl dihydrogen phosphate?
piperazin-1-yl dihydrogen phosphate has a molecular weight of 182.12 g/mol, XLogP of -1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl dihydrogen phosphate is sourced from PubChem (CID 57178782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).