tert-butyl 2-amino-2-methylpiperidine-1-carboxylate

C11H22N2O2 — CID 69118170

IUPACtert-butyl 2-amino-2-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1(C)N
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-8-6-5-7-11(13,4)12/h5-8,12H2,1-4H3
InChIKeyZTHOFVGQTKXCHO-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.08
Rot. Bonds

About tert-butyl 2-amino-2-methylpiperidine-1-carboxylate

tert-butyl 2-amino-2-methylpiperidine-1-carboxylate (PubChem CID 69118170) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl 2-amino-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-methylpiperidine-1-carboxylate
PubChem CID69118170
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl 2-amino-2-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1(C)N
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-8-6-5-7-11(13,4)12/h5-8,12H2,1-4H3
InChIKeyZTHOFVGQTKXCHO-UHFFFAOYSA-N
XLogP2.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 175733208
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate
CID 71741473
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate
CID 27281685
tert-butyl 2-ethenyl-2-methylpiperidine-1-carboxylate
CID 166068808
tert-butyl (2R)-2-(hydroxymethyl)-2-methylazepane-1-carboxylate
CID 129462520
2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]acetic acid
CID 115048061
tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate
CID 102345334
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-amino-2-methylpiperidine-1-carboxylate (CID 69118170) is tert-butyl 2-amino-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-amino-2-methylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1(C)N.
What is the InChIKey of tert-butyl 2-amino-2-methylpiperidine-1-carboxylate?
The InChIKey is ZTHOFVGQTKXCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-8-6-5-7-11(13,4)12/h5-8,12H2,1-4H3.
What are the key properties of tert-butyl 2-amino-2-methylpiperidine-1-carboxylate?
tert-butyl 2-amino-2-methylpiperidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 69118170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).