tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate

C13H21Br2NO2 — CID 15503387

IUPACtert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC=C(Br)Br)CC1
InChIInChI=1S/C13H21Br2NO2/c1-13(2,3)18-12(17)16-8-6-10(7-9-16)4-5-11(14)15/h5,10H,4,6-9H2,1-3H3
InChIKeyGEOKNKIIMJJHSU-UHFFFAOYSA-N
MW383.12 g/mol
LogP4.65
Rot. Bonds2

About tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate

tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate (PubChem CID 15503387) has the molecular formula C13H21Br2NO2 and a molecular weight of 383.12 g/mol. Its IUPAC name is tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
PubChem CID15503387
Molecular FormulaC13H21Br2NO2
Molecular Weight383.12 g/mol
Exact Mass380.99
IUPAC Nametert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC=C(Br)Br)CC1
InChIInChI=1S/C13H21Br2NO2/c1-13(2,3)18-12(17)16-8-6-10(7-9-16)4-5-11(14)15/h5,10H,4,6-9H2,1-3H3
InChIKeyGEOKNKIIMJJHSU-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate
CID 11474132
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 105488235
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate
CID 142635325
4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid
CID 87209791
tert-butyl 4-(methylsulfanylmethyl)piperidine-1-carboxylate
CID 21087276
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate (CID 15503387) is tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC=C(Br)Br)CC1.
What is the InChIKey of tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate?
The InChIKey is GEOKNKIIMJJHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Br2NO2/c1-13(2,3)18-12(17)16-8-6-10(7-9-16)4-5-11(14)15/h5,10H,4,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate?
tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate has a molecular weight of 383.12 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate is sourced from PubChem (CID 15503387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).