4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium

C14H27N2O4+ — CID 59582328

IUPAC4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium
SMILESC[N+](C)(C)CCCCOC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-16(2,3)10-4-5-11-20-14(19)15-8-6-12(7-9-15)13(17)18/h12H,4-11H2,1-3H3/p+1
InChIKeyQAWHHEWDKHAYKK-UHFFFAOYSA-O
MW287.38 g/mol
LogP1.41
Rot. Bonds6

About 4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium

4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium (PubChem CID 59582328) has the molecular formula C14H27N2O4+ and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium.

Molecular Properties

Compound Name4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium
PubChem CID59582328
Molecular FormulaC14H27N2O4+
Molecular Weight287.38 g/mol
Exact Mass287.20
IUPAC Name4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium
SMILESC[N+](C)(C)CCCCOC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-16(2,3)10-4-5-11-20-14(19)15-8-6-12(7-9-15)13(17)18/h12H,4-11H2,1-3H3/p+1
InChIKeyQAWHHEWDKHAYKK-UHFFFAOYSA-O
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium?
The IUPAC name of 4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium (CID 59582328) is 4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium.
What is the SMILES notation for 4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium?
The canonical SMILES for 4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium is C[N+](C)(C)CCCCOC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium?
The InChIKey is QAWHHEWDKHAYKK-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H26N2O4/c1-16(2,3)10-4-5-11-20-14(19)15-8-6-12(7-9-15)13(17)18/h12H,4-11H2,1-3H3/p+1.
What are the key properties of 4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium?
4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium has a molecular weight of 287.38 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxypiperidine-1-carbonyl)oxybutyl-trimethylazanium is sourced from PubChem (CID 59582328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).