tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate

C12H19Br2NO2 — CID 11474132

IUPACtert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C=C(Br)Br)CC1
InChIInChI=1S/C12H19Br2NO2/c1-12(2,3)17-11(16)15-6-4-9(5-7-15)8-10(13)14/h8-9H,4-7H2,1-3H3
InChIKeyMBNHUCDXSFFRLG-UHFFFAOYSA-N
MW369.10 g/mol
LogP4.26
Rot. Bonds1

About tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate

tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate (PubChem CID 11474132) has the molecular formula C12H19Br2NO2 and a molecular weight of 369.10 g/mol. Its IUPAC name is tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate
PubChem CID11474132
Molecular FormulaC12H19Br2NO2
Molecular Weight369.10 g/mol
Exact Mass366.98
IUPAC Nametert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C=C(Br)Br)CC1
InChIInChI=1S/C12H19Br2NO2/c1-12(2,3)17-11(16)15-6-4-9(5-7-15)8-10(13)14/h8-9H,4-7H2,1-3H3
InChIKeyMBNHUCDXSFFRLG-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.10
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-(2,2-dibromoethenyl)piperidine-1-carboxylate
CID 86615128
tert-butyl 4-formylpiperidine-1-carboxylate;methanol
CID 162380340
tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 15503387
bicyclo[2.2.0]hexane;tert-butyl 4-formylpiperidine-1-carboxylate
CID 174479814
tert-butyl 4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 135345221
tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate
CID 134982303
tert-butyl 4-[(E)-3-amino-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 122714834
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl 4-aminosulfanylpiperidine-1-carboxylate
CID 135202849
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate (CID 11474132) is tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C=C(Br)Br)CC1.
What is the InChIKey of tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate?
The InChIKey is MBNHUCDXSFFRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Br2NO2/c1-12(2,3)17-11(16)15-6-4-9(5-7-15)8-10(13)14/h8-9H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate?
tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate has a molecular weight of 369.10 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate is sourced from PubChem (CID 11474132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).