tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate

C14H20BrN3O2 — CID 139550884

IUPACtert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2cnc(Br)cn2)CC1
InChIInChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)10-4-6-18(7-5-10)12-9-16-11(15)8-17-12/h8-10H,4-7H2,1-3H3
InChIKeyWHLYSLDCWLGOIU-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.80
Rot. Bonds2

About tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate

tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate (PubChem CID 139550884) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate
PubChem CID139550884
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Nametert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2cnc(Br)cn2)CC1
InChIInChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)10-4-6-18(7-5-10)12-9-16-11(15)8-17-12/h8-10H,4-7H2,1-3H3
InChIKeyWHLYSLDCWLGOIU-UHFFFAOYSA-N
XLogP2.80
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 1-(5-bromopyrazin-2-yl)pyrrolidine-2-carboxylate
CID 86280211
tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate
CID 162376577
tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate
CID 162376246
tert-butyl 1-(6-isocyanopyrimidin-4-yl)piperidine-4-carboxylate
CID 168838987
tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate
CID 21334263
tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate
CID 166113221
tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate
CID 69482474
2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine
CID 130979036
tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate;1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175877328
tert-butyl 1-(7-bromo-5-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-4-yl)piperidine-4-carboxylate
CID 177325352
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;ethane
CID 166113585

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate (CID 139550884) is tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate is CC(C)(C)OC(=O)C1CCN(c2cnc(Br)cn2)CC1.
What is the InChIKey of tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate?
The InChIKey is WHLYSLDCWLGOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)10-4-6-18(7-5-10)12-9-16-11(15)8-17-12/h8-10H,4-7H2,1-3H3.
What are the key properties of tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate?
tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate has a molecular weight of 342.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 139550884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).