tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate

C15H22BrN3O3 — CID 167350484

IUPACtert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
SMILESCc1nc(Br)cnc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H22BrN3O3/c1-10-13(17-9-12(16)18-10)21-11-5-7-19(8-6-11)14(20)22-15(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyKFEJSKYISBVCIF-UHFFFAOYSA-N
MW372.26 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate

tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate (PubChem CID 167350484) has the molecular formula C15H22BrN3O3 and a molecular weight of 372.26 g/mol. Its IUPAC name is tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
PubChem CID167350484
Molecular FormulaC15H22BrN3O3
Molecular Weight372.26 g/mol
Exact Mass371.08
IUPAC Nametert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
SMILESCc1nc(Br)cnc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H22BrN3O3/c1-10-13(17-9-12(16)18-10)21-11-5-7-19(8-6-11)14(20)22-15(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyKFEJSKYISBVCIF-UHFFFAOYSA-N
XLogP3.33
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 90774753
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl 4-[(5-amino-3-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 68624895
tert-butyl 4-[(5-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylate
CID 90288728
1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone
CID 167350868
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 3-[(3,5-dimethyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134495004
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 67529349
tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 155098015
tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 145472944
tert-butyl 4-(4-bromosulfanylphenoxy)piperidine-1-carboxylate
CID 18700263

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate (CID 167350484) is tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate is Cc1nc(Br)cnc1OC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate?
The InChIKey is KFEJSKYISBVCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O3/c1-10-13(17-9-12(16)18-10)21-11-5-7-19(8-6-11)14(20)22-15(2,3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate?
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate has a molecular weight of 372.26 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 167350484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).