1-butylpiperidine;oxalic acid

C11H21NO4 — CID 174297882

IUPAC1-butylpiperidine;oxalic acid
SMILESCCCCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C9H19N.C2H2O4/c1-2-3-7-10-8-5-4-6-9-10;3-1(4)2(5)6/h2-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyYWIAJAMYCSMNEY-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.43
Rot. Bonds3

About 1-butylpiperidine;oxalic acid

1-butylpiperidine;oxalic acid (PubChem CID 174297882) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-butylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-butylpiperidine;oxalic acid
PubChem CID174297882
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name1-butylpiperidine;oxalic acid
SMILESCCCCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C9H19N.C2H2O4/c1-2-3-7-10-8-5-4-6-9-10;3-1(4)2(5)6/h2-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyYWIAJAMYCSMNEY-UHFFFAOYSA-N
XLogP1.43
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-butylpiperidine;oxalic acid?
The IUPAC name of 1-butylpiperidine;oxalic acid (CID 174297882) is 1-butylpiperidine;oxalic acid.
What is the SMILES notation for 1-butylpiperidine;oxalic acid?
The canonical SMILES for 1-butylpiperidine;oxalic acid is CCCCN1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of 1-butylpiperidine;oxalic acid?
The InChIKey is YWIAJAMYCSMNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H2O4/c1-2-3-7-10-8-5-4-6-9-10;3-1(4)2(5)6/h2-9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-butylpiperidine;oxalic acid?
1-butylpiperidine;oxalic acid has a molecular weight of 231.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpiperidine;oxalic acid is sourced from PubChem (CID 174297882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).