2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid

C12H23NO2 — CID 175576424

IUPAC2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid
SMILESCC1CCC(C)(C(C)(C)C)N(C(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-9-6-7-12(5,11(2,3)4)13(8-9)10(14)15/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyBHFJKATZAXYGDX-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.20
Rot. Bonds

About 2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid

2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid (PubChem CID 175576424) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid
PubChem CID175576424
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid
SMILESCC1CCC(C)(C(C)(C)C)N(C(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-9-6-7-12(5,11(2,3)4)13(8-9)10(14)15/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyBHFJKATZAXYGDX-UHFFFAOYSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid (CID 175576424) is 2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid is CC1CCC(C)(C(C)(C)C)N(C(=O)O)C1.
What is the InChIKey of 2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid?
The InChIKey is BHFJKATZAXYGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-6-7-12(5,11(2,3)4)13(8-9)10(14)15/h9H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid?
2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,5-dimethylpiperidine-1-carboxylic acid is sourced from PubChem (CID 175576424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).