tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate

C12H22N2O2 — CID 54132732

IUPACtert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1=CCN
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-5-4-6-10(14)7-8-13/h7H,4-6,8-9,13H2,1-3H3
InChIKeyNVMNIPZQSPJGQA-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.25
Rot. Bonds1

About tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate

tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate (PubChem CID 54132732) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate
PubChem CID54132732
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1=CCN
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-5-4-6-10(14)7-8-13/h7H,4-6,8-9,13H2,1-3H3
InChIKeyNVMNIPZQSPJGQA-UHFFFAOYSA-N
XLogP2.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate (CID 54132732) is tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1=CCN.
What is the InChIKey of tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate?
The InChIKey is NVMNIPZQSPJGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-5-4-6-10(14)7-8-13/h7H,4-6,8-9,13H2,1-3H3.
What are the key properties of tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate?
tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate is sourced from PubChem (CID 54132732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).