2,6-dimethylpiperazine;phosphoric acid

C6H20N2O8P2 — CID 175277690

IUPAC2,6-dimethylpiperazine;phosphoric acid
SMILESCC1CNCC(C)N1.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C6H14N2.2H3O4P/c1-5-3-7-4-6(2)8-5;2*1-5(2,3)4/h5-8H,3-4H2,1-2H3;2*(H3,1,2,3,4)
InChIKeyRHJLPLPGHKKROF-UHFFFAOYSA-N
MW310.18 g/mol
LogP-1.90
Rot. Bonds

About 2,6-dimethylpiperazine;phosphoric acid

2,6-dimethylpiperazine;phosphoric acid (PubChem CID 175277690) has the molecular formula C6H20N2O8P2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2,6-dimethylpiperazine;phosphoric acid.

Molecular Properties

Compound Name2,6-dimethylpiperazine;phosphoric acid
PubChem CID175277690
Molecular FormulaC6H20N2O8P2
Molecular Weight310.18 g/mol
Exact Mass310.07
IUPAC Name2,6-dimethylpiperazine;phosphoric acid
SMILESCC1CNCC(C)N1.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C6H14N2.2H3O4P/c1-5-3-7-4-6(2)8-5;2*1-5(2,3)4/h5-8H,3-4H2,1-2H3;2*(H3,1,2,3,4)
InChIKeyRHJLPLPGHKKROF-UHFFFAOYSA-N
XLogP-1.90
TPSA179.58 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.18
LogP ≤ 5-1.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylpiperazine;iodomethane
CID 177002631
[(2R,6R)-6-methylpiperazin-2-yl]methanol
CID 146306061
2,6,7-trimethyl-1,4-diazepane
CID 134277914
(2R,6S)-2-cyclopropyl-6-methylpiperazine
CID 134446331
phosphoric acid;thiomorpholine
CID 174982514
phosphane;phosphoric acid
CID 172840180
phosphane;phosphoric acid
CID 173160232
2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine;2,6-dimethylpiperazine
CID 161349261
azetidine;phosphoric acid
CID 172755037
calcium;phosphoric acid;hydrate
CID 170923527
undecacalcium;hydride;phosphoric acid
CID 173326872
dicalcium;hydron;phosphoric acid
CID 173008469

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpiperazine;phosphoric acid?
The IUPAC name of 2,6-dimethylpiperazine;phosphoric acid (CID 175277690) is 2,6-dimethylpiperazine;phosphoric acid.
What is the SMILES notation for 2,6-dimethylpiperazine;phosphoric acid?
The canonical SMILES for 2,6-dimethylpiperazine;phosphoric acid is CC1CNCC(C)N1.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of 2,6-dimethylpiperazine;phosphoric acid?
The InChIKey is RHJLPLPGHKKROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2H3O4P/c1-5-3-7-4-6(2)8-5;2*1-5(2,3)4/h5-8H,3-4H2,1-2H3;2*(H3,1,2,3,4).
What are the key properties of 2,6-dimethylpiperazine;phosphoric acid?
2,6-dimethylpiperazine;phosphoric acid has a molecular weight of 310.18 g/mol, XLogP of -1.90, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpiperazine;phosphoric acid is sourced from PubChem (CID 175277690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).