piperidine-4-carboxylate

C6H10NO2- — CID 22468532

IUPACpiperidine-4-carboxylate
SMILESO=C([O-])C1CCNCC1
InChIInChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)/p-1
InChIKeySRJOCJYGOFTFLH-UHFFFAOYSA-M
MW128.15 g/mol
LogP-1.26
Rot. Bonds1

About piperidine-4-carboxylate

piperidine-4-carboxylate (PubChem CID 22468532) has the molecular formula C6H10NO2- and a molecular weight of 128.15 g/mol. Its IUPAC name is piperidine-4-carboxylate.

Molecular Properties

Compound Namepiperidine-4-carboxylate
PubChem CID22468532
Molecular FormulaC6H10NO2-
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Namepiperidine-4-carboxylate
SMILESO=C([O-])C1CCNCC1
InChIInChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)/p-1
InChIKeySRJOCJYGOFTFLH-UHFFFAOYSA-M
XLogP-1.26
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 ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze piperidine-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

Related Compounds

4-Piperidinecarboxylic acid
CID 3773
Ethyl 4-piperidinecarboxylate
CID 70770
Methyl isonipecotate
CID 424914
Isonipecotic acid hydrochloride
CID 22298
Tert-butyl Piperidine-4-carboxylate
CID 1512676
rac-methyl (3R,4R)-3-methylpiperidine-4-carboxylate hydrochloride
CID 14869355
Piperidine-4-carboxylic acid tert-butyl ester hydrochloride
CID 42614227
4-Fluoropiperidine-4-carboxylic acid hydrochloride
CID 53393267
4-Fluoropiperidine-4-carboxylic acid
CID 53393268
3-Methylpiperidine-4-carboxylic acid hydrochloride
CID 69169077
Methyl 3-fluoropiperidine-4-carboxylate hydrochloride
CID 84720949
3-Methyl-4-piperidinecarboxylic acid
CID 4248617

Frequently Asked Questions

What is the IUPAC name of piperidine-4-carboxylate?
The IUPAC name of piperidine-4-carboxylate (CID 22468532) is piperidine-4-carboxylate.
What is the SMILES notation for piperidine-4-carboxylate?
The canonical SMILES for piperidine-4-carboxylate is O=C([O-])C1CCNCC1.
What is the InChIKey of piperidine-4-carboxylate?
The InChIKey is SRJOCJYGOFTFLH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)/p-1.
What are the key properties of piperidine-4-carboxylate?
piperidine-4-carboxylate has a molecular weight of 128.15 g/mol, XLogP of -1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-4-carboxylate is sourced from PubChem (CID 22468532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).