butyl 4-aminopiperidine-4-carboxylate;oxalic acid

C12H22N2O6 — CID 3044668

IUPACbutyl 4-aminopiperidine-4-carboxylate;oxalic acid
SMILESCCCCOC(=O)C1(N)CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C10H20N2O2.C2H2O4/c1-2-3-8-14-9(13)10(11)4-6-12-7-5-10;3-1(4)2(5)6/h12H,2-8,11H2,1H3;(H,3,4)(H,5,6)
InChIKeyWAQSWBBNOLNVAW-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.43
Rot. Bonds4

About butyl 4-aminopiperidine-4-carboxylate;oxalic acid

butyl 4-aminopiperidine-4-carboxylate;oxalic acid (PubChem CID 3044668) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is butyl 4-aminopiperidine-4-carboxylate;oxalic acid.

Molecular Properties

Compound Namebutyl 4-aminopiperidine-4-carboxylate;oxalic acid
PubChem CID3044668
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Namebutyl 4-aminopiperidine-4-carboxylate;oxalic acid
SMILESCCCCOC(=O)C1(N)CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C10H20N2O2.C2H2O4/c1-2-3-8-14-9(13)10(11)4-6-12-7-5-10;3-1(4)2(5)6/h12H,2-8,11H2,1H3;(H,3,4)(H,5,6)
InChIKeyWAQSWBBNOLNVAW-UHFFFAOYSA-N
XLogP-0.43
TPSA138.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Piperidinecarboxylic acid, 4-amino-, ethyl ester, ethanedioate (1:2)
CID 3044666
4-Piperidinecarboxylic acid, 4-amino-, pentyl ester, ethanedioate (1:2)
CID 3044670
Ethyl 4-amino-1-methylpiperidine-4-carboxylate
CID 4004342
Butyl 4-aminopiperidine-4-carboxylate
CID 3044669
Pentyl 4-aminopiperidine-4-carboxylate
CID 3044671
Ethyl 4-aminopiperidine-4-carboxylate
CID 3044667
Ethyl 4-amino-1-ethylpiperidine-4-carboxylate
CID 3597181
Propyl 4-amino-1-methylpiperidine-4-carboxylate
CID 45089541
Ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate
CID 58311596
2-Amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol
CID 67829841
Ethyl 4-(dimethylamino)piperidine-4-carboxylate
CID 70380048
Ethyl 4-isocyanopiperidine-4-carboxylate
CID 87280776

Frequently Asked Questions

What is the IUPAC name of butyl 4-aminopiperidine-4-carboxylate;oxalic acid?
The IUPAC name of butyl 4-aminopiperidine-4-carboxylate;oxalic acid (CID 3044668) is butyl 4-aminopiperidine-4-carboxylate;oxalic acid.
What is the SMILES notation for butyl 4-aminopiperidine-4-carboxylate;oxalic acid?
The canonical SMILES for butyl 4-aminopiperidine-4-carboxylate;oxalic acid is CCCCOC(=O)C1(N)CCNCC1.O=C(O)C(=O)O.
What is the InChIKey of butyl 4-aminopiperidine-4-carboxylate;oxalic acid?
The InChIKey is WAQSWBBNOLNVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.C2H2O4/c1-2-3-8-14-9(13)10(11)4-6-12-7-5-10;3-1(4)2(5)6/h12H,2-8,11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of butyl 4-aminopiperidine-4-carboxylate;oxalic acid?
butyl 4-aminopiperidine-4-carboxylate;oxalic acid has a molecular weight of 290.32 g/mol, XLogP of -0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-aminopiperidine-4-carboxylate;oxalic acid is sourced from PubChem (CID 3044668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).