tert-butyl piperidine-2-carboxylate

C10H19NO2 — CID 4180856

IUPACtert-butyl piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCCN1
InChIInChI=1S/C10H19NO2/c1-10(2,3)13-9(12)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3
InChIKeyMESKMUAFJDWOAR-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds1

About tert-butyl piperidine-2-carboxylate

tert-butyl piperidine-2-carboxylate (PubChem CID 4180856) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl piperidine-2-carboxylate
PubChem CID4180856
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCCN1
InChIInChI=1S/C10H19NO2/c1-10(2,3)13-9(12)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3
InChIKeyMESKMUAFJDWOAR-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl piperidine-2-carboxylate?
The IUPAC name of tert-butyl piperidine-2-carboxylate (CID 4180856) is tert-butyl piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl piperidine-2-carboxylate?
The canonical SMILES for tert-butyl piperidine-2-carboxylate is CC(C)(C)OC(=O)C1CCCCN1.
What is the InChIKey of tert-butyl piperidine-2-carboxylate?
The InChIKey is MESKMUAFJDWOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)13-9(12)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3.
What are the key properties of tert-butyl piperidine-2-carboxylate?
tert-butyl piperidine-2-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl piperidine-2-carboxylate is sourced from PubChem (CID 4180856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).