1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid

C12H23NO2 — CID 117020335

IUPAC1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid
SMILESCC(C)(C)N1CCC(C(=O)O)CC1(C)C
InChIInChI=1S/C12H23NO2/c1-11(2,3)13-7-6-9(10(14)15)8-12(13,4)5/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyDAFKARHLEZKSDD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds1

About 1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid

1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid (PubChem CID 117020335) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid
PubChem CID117020335
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid
SMILESCC(C)(C)N1CCC(C(=O)O)CC1(C)C
InChIInChI=1S/C12H23NO2/c1-11(2,3)13-7-6-9(10(14)15)8-12(13,4)5/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyDAFKARHLEZKSDD-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid (CID 117020335) is 1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid is CC(C)(C)N1CCC(C(=O)O)CC1(C)C.
What is the InChIKey of 1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid?
The InChIKey is DAFKARHLEZKSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2,3)13-7-6-9(10(14)15)8-12(13,4)5/h9H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid?
1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,2-dimethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 117020335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).