tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate

C13H21Br2NO2 — CID 11794333

IUPACtert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CC=C(Br)Br
InChIInChI=1S/C13H21Br2NO2/c1-13(2,3)18-12(17)16-9-5-4-6-10(16)7-8-11(14)15/h8,10H,4-7,9H2,1-3H3
InChIKeyFMJJSKSAFCLDEI-UHFFFAOYSA-N
MW383.12 g/mol
LogP4.80
Rot. Bonds2

About tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate

tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate (PubChem CID 11794333) has the molecular formula C13H21Br2NO2 and a molecular weight of 383.12 g/mol. Its IUPAC name is tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
PubChem CID11794333
Molecular FormulaC13H21Br2NO2
Molecular Weight383.12 g/mol
Exact Mass380.99
IUPAC Nametert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CC=C(Br)Br
InChIInChI=1S/C13H21Br2NO2/c1-13(2,3)18-12(17)16-9-5-4-6-10(16)7-8-11(14)15/h8,10H,4-7,9H2,1-3H3
InChIKeyFMJJSKSAFCLDEI-UHFFFAOYSA-N
XLogP4.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.12
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
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CID 130839341
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400
tert-butyl 2-(2-cyclopropyl-2-oxoethyl)piperidine-1-carboxylate
CID 79536550
tert-butyl (2S)-2-(2-oxopropyl)azepane-1-carboxylate
CID 96581062
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate (CID 11794333) is tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CC=C(Br)Br.
What is the InChIKey of tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate?
The InChIKey is FMJJSKSAFCLDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Br2NO2/c1-13(2,3)18-12(17)16-9-5-4-6-10(16)7-8-11(14)15/h8,10H,4-7,9H2,1-3H3.
What are the key properties of tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate?
tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate has a molecular weight of 383.12 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate is sourced from PubChem (CID 11794333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).