oxalic acid;2-piperidin-4-ylethanol

C9H17NO5 — CID 19104136

IUPACoxalic acid;2-piperidin-4-ylethanol
SMILESO=C(O)C(=O)O.OCCC1CCNCC1
InChIInChI=1S/C7H15NO.C2H2O4/c9-6-3-7-1-4-8-5-2-7;3-1(4)2(5)6/h7-9H,1-6H2;(H,3,4)(H,5,6)
InChIKeyNIRASNTYDQMWFY-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.48
Rot. Bonds2

About oxalic acid;2-piperidin-4-ylethanol

oxalic acid;2-piperidin-4-ylethanol (PubChem CID 19104136) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is oxalic acid;2-piperidin-4-ylethanol.

Molecular Properties

Compound Nameoxalic acid;2-piperidin-4-ylethanol
PubChem CID19104136
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Nameoxalic acid;2-piperidin-4-ylethanol
SMILESO=C(O)C(=O)O.OCCC1CCNCC1
InChIInChI=1S/C7H15NO.C2H2O4/c9-6-3-7-1-4-8-5-2-7;3-1(4)2(5)6/h7-9H,1-6H2;(H,3,4)(H,5,6)
InChIKeyNIRASNTYDQMWFY-UHFFFAOYSA-N
XLogP-0.48
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-piperidin-4-ylethanol?
The IUPAC name of oxalic acid;2-piperidin-4-ylethanol (CID 19104136) is oxalic acid;2-piperidin-4-ylethanol.
What is the SMILES notation for oxalic acid;2-piperidin-4-ylethanol?
The canonical SMILES for oxalic acid;2-piperidin-4-ylethanol is O=C(O)C(=O)O.OCCC1CCNCC1.
What is the InChIKey of oxalic acid;2-piperidin-4-ylethanol?
The InChIKey is NIRASNTYDQMWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H2O4/c9-6-3-7-1-4-8-5-2-7;3-1(4)2(5)6/h7-9H,1-6H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-piperidin-4-ylethanol?
oxalic acid;2-piperidin-4-ylethanol has a molecular weight of 219.24 g/mol, XLogP of -0.48, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-piperidin-4-ylethanol is sourced from PubChem (CID 19104136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).