dihydrogen phosphate;piperazin-1-ium

C4H13N2O4P — CID 91980019

IUPACdihydrogen phosphate;piperazin-1-ium
SMILESC1C[NH2+]CCN1.O=P([O-])(O)O
InChIInChI=1S/C4H10N2.H3O4P/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H3,1,2,3,4)
InChIKeyNQQWFVUVBGSGQN-UHFFFAOYSA-N
MW184.13 g/mol
LogP-3.41
Rot. Bonds

About dihydrogen phosphate;piperazin-1-ium

dihydrogen phosphate;piperazin-1-ium (PubChem CID 91980019) has the molecular formula C4H13N2O4P and a molecular weight of 184.13 g/mol. Its IUPAC name is dihydrogen phosphate;piperazin-1-ium.

Molecular Properties

Compound Namedihydrogen phosphate;piperazin-1-ium
PubChem CID91980019
Molecular FormulaC4H13N2O4P
Molecular Weight184.13 g/mol
Exact Mass184.06
IUPAC Namedihydrogen phosphate;piperazin-1-ium
SMILESC1C[NH2+]CCN1.O=P([O-])(O)O
InChIInChI=1S/C4H10N2.H3O4P/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H3,1,2,3,4)
InChIKeyNQQWFVUVBGSGQN-UHFFFAOYSA-N
XLogP-3.41
TPSA109.23 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 5-3.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diphosphoric acid, compd. with piperazine (1:1)
CID 21989140
Piperazine, phosphate, hydrate (1:1:1)
CID 443965
Piperazine, phosphate (1:?)
CID 64733
Phosphono piperazin
CID 19865342
[(Piperazin-1-yl)methyl]phosphonic acid
CID 45099766
Piperazin-1-yl dihydrogen phosphate
CID 57178782
N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid
CID 18615312
N-(2-Ammonioethyl)ethane-1,2-diammonium phosphate
CID 44145037
1-Methylpiperazine;phosphoric acid
CID 71361246
Hydrogen phosphate;hydron;piperazine
CID 173559192
Chromium-piperazinium phosphate
CID 129831538
dioxido(oxo)phosphanium;(2S)-2-methylpiperazine-1,4-diium;hydrate
CID 139040497

Frequently Asked Questions

What is the IUPAC name of dihydrogen phosphate;piperazin-1-ium?
The IUPAC name of dihydrogen phosphate;piperazin-1-ium (CID 91980019) is dihydrogen phosphate;piperazin-1-ium.
What is the SMILES notation for dihydrogen phosphate;piperazin-1-ium?
The canonical SMILES for dihydrogen phosphate;piperazin-1-ium is C1C[NH2+]CCN1.O=P([O-])(O)O.
What is the InChIKey of dihydrogen phosphate;piperazin-1-ium?
The InChIKey is NQQWFVUVBGSGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.H3O4P/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H3,1,2,3,4).
What are the key properties of dihydrogen phosphate;piperazin-1-ium?
dihydrogen phosphate;piperazin-1-ium has a molecular weight of 184.13 g/mol, XLogP of -3.41, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydrogen phosphate;piperazin-1-ium is sourced from PubChem (CID 91980019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).