tert-butyl 3-amino-4-methylpiperidine-1-carboxylate

C11H22N2O2 — CID 67971847

IUPACtert-butyl 3-amino-4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OC(C)(C)C)CC1N
InChIInChI=1S/C11H22N2O2/c1-8-5-6-13(7-9(8)12)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3
InChIKeyOWWPBKGSGNQMPL-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.59
Rot. Bonds

About tert-butyl 3-amino-4-methylpiperidine-1-carboxylate

tert-butyl 3-amino-4-methylpiperidine-1-carboxylate (PubChem CID 67971847) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl 3-amino-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-4-methylpiperidine-1-carboxylate
PubChem CID67971847
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl 3-amino-4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OC(C)(C)C)CC1N
InChIInChI=1S/C11H22N2O2/c1-8-5-6-13(7-9(8)12)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3
InChIKeyOWWPBKGSGNQMPL-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-4-methylpiperidine-1-carboxylate (CID 67971847) is tert-butyl 3-amino-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)OC(C)(C)C)CC1N.
What is the InChIKey of tert-butyl 3-amino-4-methylpiperidine-1-carboxylate?
The InChIKey is OWWPBKGSGNQMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-5-6-13(7-9(8)12)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3.
What are the key properties of tert-butyl 3-amino-4-methylpiperidine-1-carboxylate?
tert-butyl 3-amino-4-methylpiperidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 67971847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).