tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate

C11H19N3O2 — CID 22091429

IUPACtert-butyl 4-amino-4-cyanopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(C#N)CC1
InChIInChI=1S/C11H19N3O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-7,13H2,1-3H3
InChIKeyZDAOYEIIJSEFSW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.24
Rot. Bonds

About tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate

tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate (PubChem CID 22091429) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-4-cyanopiperidine-1-carboxylate
PubChem CID22091429
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nametert-butyl 4-amino-4-cyanopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(C#N)CC1
InChIInChI=1S/C11H19N3O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-7,13H2,1-3H3
InChIKeyZDAOYEIIJSEFSW-UHFFFAOYSA-N
XLogP1.24
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate (CID 22091429) is tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)(C#N)CC1.
What is the InChIKey of tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate?
The InChIKey is ZDAOYEIIJSEFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-7,13H2,1-3H3.
What are the key properties of tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate?
tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate is sourced from PubChem (CID 22091429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).