oxalic acid;1-prop-2-ynylpiperidine

C10H15NO4 — CID 71318911

IUPACoxalic acid;1-prop-2-ynylpiperidine
SMILESC#CCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C8H13N.C2H2O4/c1-2-6-9-7-4-3-5-8-9;3-1(4)2(5)6/h1H,3-8H2;(H,3,4)(H,5,6)
InChIKeyVJSMXZYRRBDQRB-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.26
Rot. Bonds1

About oxalic acid;1-prop-2-ynylpiperidine

oxalic acid;1-prop-2-ynylpiperidine (PubChem CID 71318911) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is oxalic acid;1-prop-2-ynylpiperidine.

Molecular Properties

Compound Nameoxalic acid;1-prop-2-ynylpiperidine
PubChem CID71318911
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameoxalic acid;1-prop-2-ynylpiperidine
SMILESC#CCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C8H13N.C2H2O4/c1-2-6-9-7-4-3-5-8-9;3-1(4)2(5)6/h1H,3-8H2;(H,3,4)(H,5,6)
InChIKeyVJSMXZYRRBDQRB-UHFFFAOYSA-N
XLogP0.26
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Pentanamine, N-methyl-N-2-propynyl-, ethanedioate (1:1)
CID 3072567
1-Piperidinetetrolic acid
CID 578964
1-Hex-5-ynylpiperidine;oxalic acid
CID 89978681
Oxalic acid;4-piperidin-1-ylbut-2-ynyl acetate
CID 338660
1-Ethylpiperidine;oxalic acid
CID 17947281
1-Methylpiperidine;oxalic acid
CID 68812943
Oxalic acid;1-propylpiperidine
CID 157108548
1-Ethylpiperidine;oxalic acid
CID 157184471
Oxalic acid;piperidine-1-carboxylic acid
CID 158853542
1,1-Dimethylpiperidin-1-ium;2-hydroxy-2-oxoacetate
CID 173028451
1-Butylpiperidine;oxalic acid
CID 174297882

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-prop-2-ynylpiperidine?
The IUPAC name of oxalic acid;1-prop-2-ynylpiperidine (CID 71318911) is oxalic acid;1-prop-2-ynylpiperidine.
What is the SMILES notation for oxalic acid;1-prop-2-ynylpiperidine?
The canonical SMILES for oxalic acid;1-prop-2-ynylpiperidine is C#CCN1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-prop-2-ynylpiperidine?
The InChIKey is VJSMXZYRRBDQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C2H2O4/c1-2-6-9-7-4-3-5-8-9;3-1(4)2(5)6/h1H,3-8H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-prop-2-ynylpiperidine?
oxalic acid;1-prop-2-ynylpiperidine has a molecular weight of 213.23 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-prop-2-ynylpiperidine is sourced from PubChem (CID 71318911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).