4-pentylpiperidine-1-carboxylic acid

C11H21NO2 — CID 57271114

IUPAC4-pentylpiperidine-1-carboxylic acid
SMILESCCCCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-2-3-4-5-10-6-8-12(9-7-10)11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyLRNZNUMLWMSNOS-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.96
Rot. Bonds4

About 4-pentylpiperidine-1-carboxylic acid

4-pentylpiperidine-1-carboxylic acid (PubChem CID 57271114) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-pentylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-pentylpiperidine-1-carboxylic acid
PubChem CID57271114
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-pentylpiperidine-1-carboxylic acid
SMILESCCCCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-2-3-4-5-10-6-8-12(9-7-10)11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyLRNZNUMLWMSNOS-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-pentylpiperidine-1-carboxylic acid?
The IUPAC name of 4-pentylpiperidine-1-carboxylic acid (CID 57271114) is 4-pentylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-pentylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-pentylpiperidine-1-carboxylic acid is CCCCCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-pentylpiperidine-1-carboxylic acid?
The InChIKey is LRNZNUMLWMSNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-4-5-10-6-8-12(9-7-10)11(13)14/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 4-pentylpiperidine-1-carboxylic acid?
4-pentylpiperidine-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylpiperidine-1-carboxylic acid is sourced from PubChem (CID 57271114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).