1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid

C11H17NO2 — CID 91131247

IUPAC1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid
SMILESC=CC=C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17NO2/c1-3-4-9(2)12-7-5-10(6-8-12)11(13)14/h3-4,10H,1,5-8H2,2H3,(H,13,14)
InChIKeyLALUHBAXKFQGQO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.87
Rot. Bonds3

About 1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid

1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid (PubChem CID 91131247) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid
PubChem CID91131247
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid
SMILESC=CC=C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17NO2/c1-3-4-9(2)12-7-5-10(6-8-12)11(13)14/h3-4,10H,1,5-8H2,2H3,(H,13,14)
InChIKeyLALUHBAXKFQGQO-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid (CID 91131247) is 1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid is C=CC=C(C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid?
The InChIKey is LALUHBAXKFQGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-9(2)12-7-5-10(6-8-12)11(13)14/h3-4,10H,1,5-8H2,2H3,(H,13,14).
What are the key properties of 1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid?
1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-2,4-dien-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 91131247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).