tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate

C15H22BrN3O2 — CID 46739269

IUPACtert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
SMILESCc1cc(Br)cnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H22BrN3O2/c1-11-9-12(16)10-17-13(11)18-5-7-19(8-6-18)14(20)21-15(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyHFUXZPKBGUKWQY-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.21
Rot. Bonds1

About tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate

tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate (PubChem CID 46739269) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
PubChem CID46739269
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Nametert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
SMILESCc1cc(Br)cnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H22BrN3O2/c1-11-9-12(16)10-17-13(11)18-5-7-19(8-6-18)14(20)21-15(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyHFUXZPKBGUKWQY-UHFFFAOYSA-N
XLogP3.21
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(5-bromo-3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 66524905
2-methylpropyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 133360706
tert-butyl 4-(3-bromo-4-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 176508616
tert-butyl 4-(5-bromo-2-methylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 168678088
benzyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 102257694
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 133373263
1-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 133373725
5-bromo-2-chloropyrimidine;tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate
CID 157454691
tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylate
CID 91527425
tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate
CID 162360922
tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate
CID 58447020
tert-butyl 4-(5-iodo-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 156898021

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate (CID 46739269) is tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate is Cc1cc(Br)cnc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate?
The InChIKey is HFUXZPKBGUKWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-11-9-12(16)10-17-13(11)18-5-7-19(8-6-18)14(20)21-15(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate?
tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate has a molecular weight of 356.26 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 46739269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).