5-piperidin-1-ylpentanoic acid

C10H19NO2 — CID 13172082

IUPAC5-piperidin-1-ylpentanoic acid
SMILESO=C(O)CCCCN1CCCCC1
InChIInChI=1S/C10H19NO2/c12-10(13)6-2-5-9-11-7-3-1-4-8-11/h1-9H2,(H,12,13)
InChIKeyXSDBBZZUMULACW-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.73
Rot. Bonds5

About 5-piperidin-1-ylpentanoic acid

5-piperidin-1-ylpentanoic acid (PubChem CID 13172082) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-piperidin-1-ylpentanoic acid.

Molecular Properties

Compound Name5-piperidin-1-ylpentanoic acid
PubChem CID13172082
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-piperidin-1-ylpentanoic acid
SMILESO=C(O)CCCCN1CCCCC1
InChIInChI=1S/C10H19NO2/c12-10(13)6-2-5-9-11-7-3-1-4-8-11/h1-9H2,(H,12,13)
InChIKeyXSDBBZZUMULACW-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylpentanoic acid?
The IUPAC name of 5-piperidin-1-ylpentanoic acid (CID 13172082) is 5-piperidin-1-ylpentanoic acid.
What is the SMILES notation for 5-piperidin-1-ylpentanoic acid?
The canonical SMILES for 5-piperidin-1-ylpentanoic acid is O=C(O)CCCCN1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylpentanoic acid?
The InChIKey is XSDBBZZUMULACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-10(13)6-2-5-9-11-7-3-1-4-8-11/h1-9H2,(H,12,13).
What are the key properties of 5-piperidin-1-ylpentanoic acid?
5-piperidin-1-ylpentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylpentanoic acid is sourced from PubChem (CID 13172082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).