piperidin-1-ium-2-carboxylate

C6H11NO2 — CID 25200477

IUPACpiperidin-1-ium-2-carboxylate
SMILESO=C([O-])C1CCCC[NH2+]1
InChIInChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
InChIKeyHXEACLLIILLPRG-UHFFFAOYSA-N
MW129.16 g/mol
LogP-2.15
Rot. Bonds1

About piperidin-1-ium-2-carboxylate

piperidin-1-ium-2-carboxylate (PubChem CID 25200477) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is piperidin-1-ium-2-carboxylate.

Molecular Properties

Compound Namepiperidin-1-ium-2-carboxylate
PubChem CID25200477
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namepiperidin-1-ium-2-carboxylate
SMILESO=C([O-])C1CCCC[NH2+]1
InChIInChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
InChIKeyHXEACLLIILLPRG-UHFFFAOYSA-N
XLogP-2.15
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium-2-carboxylate?
The IUPAC name of piperidin-1-ium-2-carboxylate (CID 25200477) is piperidin-1-ium-2-carboxylate.
What is the SMILES notation for piperidin-1-ium-2-carboxylate?
The canonical SMILES for piperidin-1-ium-2-carboxylate is O=C([O-])C1CCCC[NH2+]1.
What is the InChIKey of piperidin-1-ium-2-carboxylate?
The InChIKey is HXEACLLIILLPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9).
What are the key properties of piperidin-1-ium-2-carboxylate?
piperidin-1-ium-2-carboxylate has a molecular weight of 129.16 g/mol, XLogP of -2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium-2-carboxylate is sourced from PubChem (CID 25200477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).