tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate

C14H21BrN4O2 — CID 155098015

IUPACtert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cncc(Br)n2)CC1
InChIInChI=1S/C14H21BrN4O2/c1-14(2,3)21-13(20)19-6-4-10(5-7-19)17-12-9-16-8-11(15)18-12/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKeyAELRMRLXYJWENN-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.05
Rot. Bonds2

About tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate

tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 155098015) has the molecular formula C14H21BrN4O2 and a molecular weight of 357.25 g/mol. Its IUPAC name is tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID155098015
Molecular FormulaC14H21BrN4O2
Molecular Weight357.25 g/mol
Exact Mass356.08
IUPAC Nametert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cncc(Br)n2)CC1
InChIInChI=1S/C14H21BrN4O2/c1-14(2,3)21-13(20)19-6-4-10(5-7-19)17-12-9-16-8-11(15)18-12/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKeyAELRMRLXYJWENN-UHFFFAOYSA-N
XLogP3.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate
CID 158644505
5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 162047212
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
tert-butyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 121204750
tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(5-bromo-2-pyridinyl)amino]piperidine-1-carboxylate;2,5-dibromopyridine
CID 159561312
tert-butyl 4-[(3-bromo-5-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 68897720
tert-butyl 3-[[6-bromo-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 170694011
tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629441
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-[[2-bromo-6-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 163265449
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate (CID 155098015) is tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2cncc(Br)n2)CC1.
What is the InChIKey of tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is AELRMRLXYJWENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O2/c1-14(2,3)21-13(20)19-6-4-10(5-7-19)17-12-9-16-8-11(15)18-12/h8-10H,4-7H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 357.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 155098015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).