oxalic acid;piperidine;hydrate

C7H15NO5 — CID 70586342

IUPACoxalic acid;piperidine;hydrate
SMILESC1CCNCC1.O.O=C(O)C(=O)O
InChIInChI=1S/C5H11N.C2H2O4.H2O/c1-2-4-6-5-3-1;3-1(4)2(5)6;/h6H,1-5H2;(H,3,4)(H,5,6);1H2
InChIKeyWDRHBMGHHQUEOG-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.91
Rot. Bonds

About oxalic acid;piperidine;hydrate

oxalic acid;piperidine;hydrate (PubChem CID 70586342) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is oxalic acid;piperidine;hydrate.

Molecular Properties

Compound Nameoxalic acid;piperidine;hydrate
PubChem CID70586342
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Nameoxalic acid;piperidine;hydrate
SMILESC1CCNCC1.O.O=C(O)C(=O)O
InChIInChI=1S/C5H11N.C2H2O4.H2O/c1-2-4-6-5-3-1;3-1(4)2(5)6;/h6H,1-5H2;(H,3,4)(H,5,6);1H2
InChIKeyWDRHBMGHHQUEOG-UHFFFAOYSA-N
XLogP-0.91
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azepane;2,2,2-trifluoroacetic acid;hydrate
CID 157278760
carboxy hydrogen carbonate;piperidine
CID 22612490
bis(sulfanyl)carbamic acid;piperidine
CID 174434998
bis(piperidine);hydrate;tetrahydrochloride
CID 67752585
azacycloheptadecane
CID 22627811
acetic acid;1,4,7,10-tetrazacyclotetradecane
CID 175503843
azepane;piperidine
CID 67415778
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561
1,8,15,22-tetrazacyclooctacosane
CID 15722579
azacyclotriacontane
CID 57238597
propan-2-one;pyrrolidine
CID 67819673

Frequently Asked Questions

What is the IUPAC name of oxalic acid;piperidine;hydrate?
The IUPAC name of oxalic acid;piperidine;hydrate (CID 70586342) is oxalic acid;piperidine;hydrate.
What is the SMILES notation for oxalic acid;piperidine;hydrate?
The canonical SMILES for oxalic acid;piperidine;hydrate is C1CCNCC1.O.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;piperidine;hydrate?
The InChIKey is WDRHBMGHHQUEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H2O4.H2O/c1-2-4-6-5-3-1;3-1(4)2(5)6;/h6H,1-5H2;(H,3,4)(H,5,6);1H2.
What are the key properties of oxalic acid;piperidine;hydrate?
oxalic acid;piperidine;hydrate has a molecular weight of 193.20 g/mol, XLogP of -0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;piperidine;hydrate is sourced from PubChem (CID 70586342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).