tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate

C16H24BrN3O2 — CID 66509380

IUPACtert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCc1cnc(Br)cn1
InChIInChI=1S/C16H24BrN3O2/c1-16(2,3)22-15(21)20-9-5-4-6-13(20)8-7-12-10-19-14(17)11-18-12/h10-11,13H,4-9H2,1-3H3
InChIKeyIOGPUXJIJOMFRQ-UHFFFAOYSA-N
MW370.29 g/mol
LogP3.96
Rot. Bonds3

About tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate

tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate (PubChem CID 66509380) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate
PubChem CID66509380
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Nametert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCc1cnc(Br)cn1
InChIInChI=1S/C16H24BrN3O2/c1-16(2,3)22-15(21)20-9-5-4-6-13(20)8-7-12-10-19-14(17)11-18-12/h10-11,13H,4-9H2,1-3H3
InChIKeyIOGPUXJIJOMFRQ-UHFFFAOYSA-N
XLogP3.96
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(5-bromopyrazin-2-yl)ethyl]piperidin-1-yl]ethanone
CID 66509821
tert-butyl 2-[2-(4-bromophenyl)ethyl]pyrrolidine-1-carboxylate
CID 58185539
tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103778032
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl (2S)-2-[[(6-bromo-3-pyridinyl)methyl-methylamino]methyl]piperidine-1-carboxylate
CID 97167227
tert-butyl 2-[[(6-bromo-3-pyridinyl)methyl-methylamino]methyl]piperidine-1-carboxylate
CID 71647567
tert-butyl 2-[(5-bromo-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 71631757
tert-butyl (2R)-2-[[(6-bromo-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97172776
tert-butyl (2R)-2-[[(5-bromo-2-pyridinyl)-methylamino]methyl]piperidine-1-carboxylate
CID 97167136
tert-butyl (2R)-2-[2-[(2-bromo-4-pyridinyl)methoxy]ethyl]piperidine-1-carboxylate
CID 97173376

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate (CID 66509380) is tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CCc1cnc(Br)cn1.
What is the InChIKey of tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is IOGPUXJIJOMFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-16(2,3)22-15(21)20-9-5-4-6-13(20)8-7-12-10-19-14(17)11-18-12/h10-11,13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 370.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(5-bromopyrazin-2-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 66509380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).