tert-butyl 2-(4-aminopiperidin-1-yl)acetate

C11H22N2O2 — CID 43556576

IUPACtert-butyl 2-(4-aminopiperidin-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)8-13-6-4-9(12)5-7-13/h9H,4-8,12H2,1-3H3
InChIKeyPCLSFENZMOENCP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds2

About tert-butyl 2-(4-aminopiperidin-1-yl)acetate

tert-butyl 2-(4-aminopiperidin-1-yl)acetate (PubChem CID 43556576) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl 2-(4-aminopiperidin-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-aminopiperidin-1-yl)acetate
PubChem CID43556576
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl 2-(4-aminopiperidin-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)8-13-6-4-9(12)5-7-13/h9H,4-8,12H2,1-3H3
InChIKeyPCLSFENZMOENCP-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-aminopiperidin-1-yl)acetate?
The IUPAC name of tert-butyl 2-(4-aminopiperidin-1-yl)acetate (CID 43556576) is tert-butyl 2-(4-aminopiperidin-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(4-aminopiperidin-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(4-aminopiperidin-1-yl)acetate is CC(C)(C)OC(=O)CN1CCC(N)CC1.
What is the InChIKey of tert-butyl 2-(4-aminopiperidin-1-yl)acetate?
The InChIKey is PCLSFENZMOENCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)8-13-6-4-9(12)5-7-13/h9H,4-8,12H2,1-3H3.
What are the key properties of tert-butyl 2-(4-aminopiperidin-1-yl)acetate?
tert-butyl 2-(4-aminopiperidin-1-yl)acetate has a molecular weight of 214.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-aminopiperidin-1-yl)acetate is sourced from PubChem (CID 43556576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).