piperidine-1-carboxylic acid;hydrate

C6H13NO3 — CID 67843925

IUPACpiperidine-1-carboxylic acid;hydrate
SMILESO.O=C(O)N1CCCCC1
InChIInChI=1S/C6H11NO2.H2O/c8-6(9)7-4-2-1-3-5-7;/h1-5H2,(H,8,9);1H2
InChIKeyIBBPZZHTVYTNSL-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.33
Rot. Bonds

About piperidine-1-carboxylic acid;hydrate

piperidine-1-carboxylic acid;hydrate (PubChem CID 67843925) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is piperidine-1-carboxylic acid;hydrate.

Molecular Properties

Compound Namepiperidine-1-carboxylic acid;hydrate
PubChem CID67843925
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namepiperidine-1-carboxylic acid;hydrate
SMILESO.O=C(O)N1CCCCC1
InChIInChI=1S/C6H11NO2.H2O/c8-6(9)7-4-2-1-3-5-7;/h1-5H2,(H,8,9);1H2
InChIKeyIBBPZZHTVYTNSL-UHFFFAOYSA-N
XLogP0.33
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze piperidine-1-carboxylic acid;hydrate 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 piperidine-1-carboxylic acid;hydrate?
The IUPAC name of piperidine-1-carboxylic acid;hydrate (CID 67843925) is piperidine-1-carboxylic acid;hydrate.
What is the SMILES notation for piperidine-1-carboxylic acid;hydrate?
The canonical SMILES for piperidine-1-carboxylic acid;hydrate is O.O=C(O)N1CCCCC1.
What is the InChIKey of piperidine-1-carboxylic acid;hydrate?
The InChIKey is IBBPZZHTVYTNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.H2O/c8-6(9)7-4-2-1-3-5-7;/h1-5H2,(H,8,9);1H2.
What are the key properties of piperidine-1-carboxylic acid;hydrate?
piperidine-1-carboxylic acid;hydrate has a molecular weight of 147.17 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carboxylic acid;hydrate is sourced from PubChem (CID 67843925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).