tert-butyl 2,6-dimethylpiperidine-3-carboxylate

C12H23NO2 — CID 122163221

IUPACtert-butyl 2,6-dimethylpiperidine-3-carboxylate
SMILESCC1CCC(C(=O)OC(C)(C)C)C(C)N1
InChIInChI=1S/C12H23NO2/c1-8-6-7-10(9(2)13-8)11(14)15-12(3,4)5/h8-10,13H,6-7H2,1-5H3
InChIKeyGNDMYZBKBJRDSQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.10
Rot. Bonds1

About tert-butyl 2,6-dimethylpiperidine-3-carboxylate

tert-butyl 2,6-dimethylpiperidine-3-carboxylate (PubChem CID 122163221) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 2,6-dimethylpiperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,6-dimethylpiperidine-3-carboxylate
PubChem CID122163221
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 2,6-dimethylpiperidine-3-carboxylate
SMILESCC1CCC(C(=O)OC(C)(C)C)C(C)N1
InChIInChI=1S/C12H23NO2/c1-8-6-7-10(9(2)13-8)11(14)15-12(3,4)5/h8-10,13H,6-7H2,1-5H3
InChIKeyGNDMYZBKBJRDSQ-UHFFFAOYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-dimethylpiperidine-3-carboxylate?
The IUPAC name of tert-butyl 2,6-dimethylpiperidine-3-carboxylate (CID 122163221) is tert-butyl 2,6-dimethylpiperidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,6-dimethylpiperidine-3-carboxylate?
The canonical SMILES for tert-butyl 2,6-dimethylpiperidine-3-carboxylate is CC1CCC(C(=O)OC(C)(C)C)C(C)N1.
What is the InChIKey of tert-butyl 2,6-dimethylpiperidine-3-carboxylate?
The InChIKey is GNDMYZBKBJRDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8-6-7-10(9(2)13-8)11(14)15-12(3,4)5/h8-10,13H,6-7H2,1-5H3.
What are the key properties of tert-butyl 2,6-dimethylpiperidine-3-carboxylate?
tert-butyl 2,6-dimethylpiperidine-3-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-dimethylpiperidine-3-carboxylate is sourced from PubChem (CID 122163221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).