oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine

C9H18N2O4 — CID 155903876

IUPACoxalic acid;(2R,6S)-1,2,6-trimethylpiperazine
SMILESC[C@@H]1CNC[C@H](C)N1C.O=C(O)C(=O)O
InChIInChI=1S/C7H16N2.C2H2O4/c1-6-4-8-5-7(2)9(6)3;3-1(4)2(5)6/h6-8H,4-5H2,1-3H3;(H,3,4)(H,5,6)/t6-,7+;
InChIKeyZDJSGZNHMWLSJU-UKMDXRBESA-N
MW218.25 g/mol
LogP-0.55
Rot. Bonds

About oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine

oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine (PubChem CID 155903876) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Nameoxalic acid;(2R,6S)-1,2,6-trimethylpiperazine
PubChem CID155903876
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Nameoxalic acid;(2R,6S)-1,2,6-trimethylpiperazine
SMILESC[C@@H]1CNC[C@H](C)N1C.O=C(O)C(=O)O
InChIInChI=1S/C7H16N2.C2H2O4/c1-6-4-8-5-7(2)9(6)3;3-1(4)2(5)6/h6-8H,4-5H2,1-3H3;(H,3,4)(H,5,6)/t6-,7+;
InChIKeyZDJSGZNHMWLSJU-UKMDXRBESA-N
XLogP-0.55
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2,6-dimethylpiperazin-1-yl]ethanone
CID 143550985
1,6-dimethylpiperazine-2-thiol
CID 142071790
1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 12914605
2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one
CID 130718849
2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride
CID 130670860
(3S,5R)-3,4,5-trimethylpiperazine-1-carboxylic acid
CID 68968098
(2S)-1,2-dimethyl-6-phenylpiperazine
CID 82403795
1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one
CID 115737245
2-methylpiperazine;oxalic acid
CID 67824953
1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 63909410
1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-3-methylbut-2-en-1-one
CID 130991658
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025

Frequently Asked Questions

What is the IUPAC name of oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine?
The IUPAC name of oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine (CID 155903876) is oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine.
What is the SMILES notation for oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine?
The canonical SMILES for oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine is C[C@@H]1CNC[C@H](C)N1C.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine?
The InChIKey is ZDJSGZNHMWLSJU-UKMDXRBESA-N. The full InChI is InChI=1S/C7H16N2.C2H2O4/c1-6-4-8-5-7(2)9(6)3;3-1(4)2(5)6/h6-8H,4-5H2,1-3H3;(H,3,4)(H,5,6)/t6-,7+;.
What are the key properties of oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine?
oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine has a molecular weight of 218.25 g/mol, XLogP of -0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine is sourced from PubChem (CID 155903876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).