[6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol

C16H26BrN3O — CID 145442782

IUPAC[6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol
SMILESCCCC1(CC)CCN(c2nc(C)c(Br)nc2CO)CC1
InChIInChI=1S/C16H26BrN3O/c1-4-6-16(5-2)7-9-20(10-8-16)15-13(11-21)19-14(17)12(3)18-15/h21H,4-11H2,1-3H3
InChIKeyVIEMCJTUJNCCNH-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.84
Rot. Bonds5

About [6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol

[6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol (PubChem CID 145442782) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is [6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol
PubChem CID145442782
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name[6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol
SMILESCCCC1(CC)CCN(c2nc(C)c(Br)nc2CO)CC1
InChIInChI=1S/C16H26BrN3O/c1-4-6-16(5-2)7-9-20(10-8-16)15-13(11-21)19-14(17)12(3)18-15/h21H,4-11H2,1-3H3
InChIKeyVIEMCJTUJNCCNH-UHFFFAOYSA-N
XLogP3.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol?
The IUPAC name of [6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol (CID 145442782) is [6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol?
The canonical SMILES for [6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol is CCCC1(CC)CCN(c2nc(C)c(Br)nc2CO)CC1.
What is the InChIKey of [6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol?
The InChIKey is VIEMCJTUJNCCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-4-6-16(5-2)7-9-20(10-8-16)15-13(11-21)19-14(17)12(3)18-15/h21H,4-11H2,1-3H3.
What are the key properties of [6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol?
[6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol has a molecular weight of 356.31 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-3-(4-ethyl-4-propylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 145442782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).