piperidin-1-ium-4-carboxylate

C6H11NO2 — CID 6931652

IUPACpiperidin-1-ium-4-carboxylate
SMILESO=C([O-])C1CC[NH2+]CC1
InChIInChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
InChIKeySRJOCJYGOFTFLH-UHFFFAOYSA-N
MW129.16 g/mol
LogP-2.29
Rot. Bonds1

About piperidin-1-ium-4-carboxylate

piperidin-1-ium-4-carboxylate (PubChem CID 6931652) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is piperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Namepiperidin-1-ium-4-carboxylate
PubChem CID6931652
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namepiperidin-1-ium-4-carboxylate
SMILESO=C([O-])C1CC[NH2+]CC1
InChIInChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
InChIKeySRJOCJYGOFTFLH-UHFFFAOYSA-N
XLogP-2.29
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 ≤ 5-2.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze piperidin-1-ium-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium-4-carboxylate?
The IUPAC name of piperidin-1-ium-4-carboxylate (CID 6931652) is piperidin-1-ium-4-carboxylate.
What is the SMILES notation for piperidin-1-ium-4-carboxylate?
The canonical SMILES for piperidin-1-ium-4-carboxylate is O=C([O-])C1CC[NH2+]CC1.
What is the InChIKey of piperidin-1-ium-4-carboxylate?
The InChIKey is SRJOCJYGOFTFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9).
What are the key properties of piperidin-1-ium-4-carboxylate?
piperidin-1-ium-4-carboxylate has a molecular weight of 129.16 g/mol, XLogP of -2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium-4-carboxylate is sourced from PubChem (CID 6931652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).