formic acid;piperidine

C6H13NO2 — CID 53420080

IUPACformic acid;piperidine
SMILESC1CCNCC1.O=CO
InChIInChI=1S/C5H11N.CH2O2/c1-2-4-6-5-3-1;2-1-3/h6H,1-5H2;1H,(H,2,3)
InChIKeyKNPWRSVXYPZCOS-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.46
Rot. Bonds

About formic acid;piperidine

formic acid;piperidine (PubChem CID 53420080) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is formic acid;piperidine.

Molecular Properties

Compound Nameformic acid;piperidine
PubChem CID53420080
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Nameformic acid;piperidine
SMILESC1CCNCC1.O=CO
InChIInChI=1S/C5H11N.CH2O2/c1-2-4-6-5-3-1;2-1-3/h6H,1-5H2;1H,(H,2,3)
InChIKeyKNPWRSVXYPZCOS-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;piperidine 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 formic acid;piperidine?
The IUPAC name of formic acid;piperidine (CID 53420080) is formic acid;piperidine.
What is the SMILES notation for formic acid;piperidine?
The canonical SMILES for formic acid;piperidine is C1CCNCC1.O=CO.
What is the InChIKey of formic acid;piperidine?
The InChIKey is KNPWRSVXYPZCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.CH2O2/c1-2-4-6-5-3-1;2-1-3/h6H,1-5H2;1H,(H,2,3).
What are the key properties of formic acid;piperidine?
formic acid;piperidine has a molecular weight of 131.18 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;piperidine is sourced from PubChem (CID 53420080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).