2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine

C11H16BrN3 — CID 129407000

IUPAC2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine
SMILESCN1CCC[C@@H](Cc2cnc(Br)cn2)C1
InChIInChI=1S/C11H16BrN3/c1-15-4-2-3-9(8-15)5-10-6-14-11(12)7-13-10/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1
InChIKeyXGTIAASFPAIINX-VIFPVBQESA-N
MW270.17 g/mol
LogP2.12
Rot. Bonds2

About 2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine

2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine (PubChem CID 129407000) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine
PubChem CID129407000
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine
SMILESCN1CCC[C@@H](Cc2cnc(Br)cn2)C1
InChIInChI=1S/C11H16BrN3/c1-15-4-2-3-9(8-15)5-10-6-14-11(12)7-13-10/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1
InChIKeyXGTIAASFPAIINX-VIFPVBQESA-N
XLogP2.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(5-bromopyrazin-2-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 175661845
2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine
CID 124641722
[5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95842690
azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone
CID 95829493
3-[5-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]benzoic acid
CID 110120249
2-bromo-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazine
CID 95823552
3-[(1-methylpiperidin-3-yl)methyl]pyridazine
CID 117106273
N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine
CID 95841173
[3-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-5-yl]methanol
CID 115092826
5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine
CID 115093645
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine
CID 110257244

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine?
The IUPAC name of 2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine (CID 129407000) is 2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine.
What is the SMILES notation for 2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine?
The canonical SMILES for 2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine is CN1CCC[C@@H](Cc2cnc(Br)cn2)C1.
What is the InChIKey of 2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine?
The InChIKey is XGTIAASFPAIINX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16BrN3/c1-15-4-2-3-9(8-15)5-10-6-14-11(12)7-13-10/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1.
What are the key properties of 2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine?
2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine has a molecular weight of 270.17 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine is sourced from PubChem (CID 129407000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).