2-tert-butyl-2-methylpiperidine-1-carboxylic acid

C11H21NO2 — CID 151588825

IUPAC2-tert-butyl-2-methylpiperidine-1-carboxylic acid
SMILESCC(C)(C)C1(C)CCCCN1C(=O)O
InChIInChI=1S/C11H21NO2/c1-10(2,3)11(4)7-5-6-8-12(11)9(13)14/h5-8H2,1-4H3,(H,13,14)
InChIKeyQIBKASDQSJTYMU-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.96
Rot. Bonds

About 2-tert-butyl-2-methylpiperidine-1-carboxylic acid

2-tert-butyl-2-methylpiperidine-1-carboxylic acid (PubChem CID 151588825) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-tert-butyl-2-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-2-methylpiperidine-1-carboxylic acid
PubChem CID151588825
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-tert-butyl-2-methylpiperidine-1-carboxylic acid
SMILESCC(C)(C)C1(C)CCCCN1C(=O)O
InChIInChI=1S/C11H21NO2/c1-10(2,3)11(4)7-5-6-8-12(11)9(13)14/h5-8H2,1-4H3,(H,13,14)
InChIKeyQIBKASDQSJTYMU-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-methylpiperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-2-methylpiperidine-1-carboxylic acid (CID 151588825) is 2-tert-butyl-2-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-2-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-2-methylpiperidine-1-carboxylic acid is CC(C)(C)C1(C)CCCCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-2-methylpiperidine-1-carboxylic acid?
The InChIKey is QIBKASDQSJTYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2,3)11(4)7-5-6-8-12(11)9(13)14/h5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-tert-butyl-2-methylpiperidine-1-carboxylic acid?
2-tert-butyl-2-methylpiperidine-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 151588825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).