tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate

C13H24N2O2 — CID 121301904

IUPACtert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate
SMILESC=CC(N)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-5-11(14)10-6-8-15(9-7-10)12(16)17-13(2,3)4/h5,10-11H,1,6-9,14H2,2-4H3
InChIKeyMCYMYERNHXEWFF-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.15
Rot. Bonds2

About tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate

tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate (PubChem CID 121301904) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate
PubChem CID121301904
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate
SMILESC=CC(N)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-5-11(14)10-6-8-15(9-7-10)12(16)17-13(2,3)4/h5,10-11H,1,6-9,14H2,2-4H3
InChIKeyMCYMYERNHXEWFF-UHFFFAOYSA-N
XLogP2.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate (CID 121301904) is tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate is C=CC(N)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate?
The InChIKey is MCYMYERNHXEWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-11(14)10-6-8-15(9-7-10)12(16)17-13(2,3)4/h5,10-11H,1,6-9,14H2,2-4H3.
What are the key properties of tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate?
tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate is sourced from PubChem (CID 121301904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).