piperidine-4-carboxylic acid

C6H11NO2 — CID 3773

IUPACpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCNCC1
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
LogP0.07
Rot. Bonds1

About piperidine-4-carboxylic acid

piperidine-4-carboxylic acid (PubChem CID 3773) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is piperidine-4-carboxylic acid.

Molecular Properties

Compound Namepiperidine-4-carboxylic acid
PubChem CID3773
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namepiperidine-4-carboxylic acid
SMILESO=C(O)C1CCNCC1
InChIInChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
InChIKeySRJOCJYGOFTFLH-UHFFFAOYSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidine-4-carboxylic acid?
The IUPAC name of piperidine-4-carboxylic acid (CID 3773) is piperidine-4-carboxylic acid.
What is the SMILES notation for piperidine-4-carboxylic acid?
The canonical SMILES for piperidine-4-carboxylic acid is O=C(O)C1CCNCC1.
What is the InChIKey of piperidine-4-carboxylic acid?
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 piperidine-4-carboxylic acid?
piperidine-4-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-4-carboxylic acid is sourced from PubChem (CID 3773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).