4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid

C15H22N2O2 — CID 170165614

IUPAC4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)c1cccc(C2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)13-6-4-5-12(16-13)11-7-9-17(10-8-11)14(18)19/h4-6,11H,7-10H2,1-3H3,(H,18,19)
InChIKeyOAKSXKAGXGOXHH-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.24
Rot. Bonds1

About 4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid

4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid (PubChem CID 170165614) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid
PubChem CID170165614
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)c1cccc(C2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)13-6-4-5-12(16-13)11-7-9-17(10-8-11)14(18)19/h4-6,11H,7-10H2,1-3H3,(H,18,19)
InChIKeyOAKSXKAGXGOXHH-UHFFFAOYSA-N
XLogP3.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid (CID 170165614) is 4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid is CC(C)(C)c1cccc(C2CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid?
The InChIKey is OAKSXKAGXGOXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)13-6-4-5-12(16-13)11-7-9-17(10-8-11)14(18)19/h4-6,11H,7-10H2,1-3H3,(H,18,19).
What are the key properties of 4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid?
4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 170165614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).