tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate

C13H24N2O2 — CID 91201774

IUPACtert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate
SMILESC=CC1CCN(C(=O)OC(C)(C)C)CC1NC
InChIInChI=1S/C13H24N2O2/c1-6-10-7-8-15(9-11(10)14-5)12(16)17-13(2,3)4/h6,10-11,14H,1,7-9H2,2-5H3
InChIKeyXMEMOBYRFITKPV-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.02
Rot. Bonds2

About tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate

tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate (PubChem CID 91201774) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate
PubChem CID91201774
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate
SMILESC=CC1CCN(C(=O)OC(C)(C)C)CC1NC
InChIInChI=1S/C13H24N2O2/c1-6-10-7-8-15(9-11(10)14-5)12(16)17-13(2,3)4/h6,10-11,14H,1,7-9H2,2-5H3
InChIKeyXMEMOBYRFITKPV-UHFFFAOYSA-N
XLogP2.02
TPSA41.57 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-amino-4-(prop-2-en-1-yl)piperidine-1-carboxylate
CID 67287394
Tert-butyl 4-amino-4-ethenylpiperidine-1-carboxylate
CID 23109465
tert-butyl N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)carbamate
CID 58332169
Tert-butyl 3-amino-3-(prop-2-en-1-yl)piperidine-1-carboxylate
CID 130068053
tert-Butyl (3R,4R)-4-methyl-3-(methylamino)piperidine-1-carboxylate
CID 53362449
tert-butyl N-[(1S)-1-(1-pent-4-enoylpiperidin-4-yl)ethyl]carbamate
CID 95614881
tert-butyl (3S,4S)-3-amino-4-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]piperidine-1-carboxylate
CID 146633811
tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate
CID 162417829
Tert-butyl 4-(butylamino)-4-ethenylpiperidine-1-carboxylate
CID 23109393
tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate
CID 23137630
tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate
CID 54530914
tert-butyl N-[[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate
CID 59129895

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate (CID 91201774) is tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate is C=CC1CCN(C(=O)OC(C)(C)C)CC1NC.
What is the InChIKey of tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate?
The InChIKey is XMEMOBYRFITKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-10-7-8-15(9-11(10)14-5)12(16)17-13(2,3)4/h6,10-11,14H,1,7-9H2,2-5H3.
What are the key properties of tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate?
tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate is sourced from PubChem (CID 91201774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).