2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid

C11H20BrNO2 — CID 172844672

IUPAC2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid
SMILESCC(C)(C)C1(CBr)CCCCN1C(=O)O
InChIInChI=1S/C11H20BrNO2/c1-10(2,3)11(8-12)6-4-5-7-13(11)9(14)15/h4-8H2,1-3H3,(H,14,15)
InChIKeyXGJGKMSJTKDAIB-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.33
Rot. Bonds1

About 2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid

2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid (PubChem CID 172844672) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid
PubChem CID172844672
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid
SMILESCC(C)(C)C1(CBr)CCCCN1C(=O)O
InChIInChI=1S/C11H20BrNO2/c1-10(2,3)11(8-12)6-4-5-7-13(11)9(14)15/h4-8H2,1-3H3,(H,14,15)
InChIKeyXGJGKMSJTKDAIB-UHFFFAOYSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 66593969
2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 166651726
2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312
(2R)-2-tert-butyl-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 67445507
2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 175733208
(2S)-2-tert-butyl-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173091920
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
2-fluoropyrrolidine-1,2-dicarboxylic acid
CID 69306748
2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid
CID 22072444
tert-butyl (2R)-2-(hydroxymethyl)-2-methylazepane-1-carboxylate
CID 129462520
tert-butyl 2-amino-2-methylpiperidine-1-carboxylate
CID 69118170
(2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid
CID 134539674

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid?
The IUPAC name of 2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid (CID 172844672) is 2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid is CC(C)(C)C1(CBr)CCCCN1C(=O)O.
What is the InChIKey of 2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid?
The InChIKey is XGJGKMSJTKDAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-10(2,3)11(8-12)6-4-5-7-13(11)9(14)15/h4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid?
2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid has a molecular weight of 278.19 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid is sourced from PubChem (CID 172844672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).