piperidine-2-carboxylate

C6H10NO2- — CID 5461049

IUPACpiperidine-2-carboxylate
SMILESO=C([O-])C1CCCCN1
InChIInChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/p-1
InChIKeyHXEACLLIILLPRG-UHFFFAOYSA-M
MW128.15 g/mol
LogP-1.12
Rot. Bonds1

About piperidine-2-carboxylate

piperidine-2-carboxylate (PubChem CID 5461049) has the molecular formula C6H10NO2- and a molecular weight of 128.15 g/mol. Its IUPAC name is piperidine-2-carboxylate.

Molecular Properties

Compound Namepiperidine-2-carboxylate
PubChem CID5461049
Molecular FormulaC6H10NO2-
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Namepiperidine-2-carboxylate
SMILESO=C([O-])C1CCCCN1
InChIInChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/p-1
InChIKeyHXEACLLIILLPRG-UHFFFAOYSA-M
XLogP-1.12
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidine-2-carboxylate?
The IUPAC name of piperidine-2-carboxylate (CID 5461049) is piperidine-2-carboxylate.
What is the SMILES notation for piperidine-2-carboxylate?
The canonical SMILES for piperidine-2-carboxylate is O=C([O-])C1CCCCN1.
What is the InChIKey of piperidine-2-carboxylate?
The InChIKey is HXEACLLIILLPRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/p-1.
What are the key properties of piperidine-2-carboxylate?
piperidine-2-carboxylate has a molecular weight of 128.15 g/mol, XLogP of -1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-2-carboxylate is sourced from PubChem (CID 5461049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).