2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine

C17H20BrN3O — CID 171702340

IUPAC2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(Cc3ccccc3Br)CC2)n1
InChIInChI=1S/C17H20BrN3O/c1-13-10-19-11-17(20-13)22-15-6-8-21(9-7-15)12-14-4-2-3-5-16(14)18/h2-5,10-11,15H,6-9,12H2,1H3
InChIKeyFLGRCDUOTWJGPE-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.59
Rot. Bonds4

About 2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine

2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine (PubChem CID 171702340) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine.

Molecular Properties

Compound Name2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine
PubChem CID171702340
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(Cc3ccccc3Br)CC2)n1
InChIInChI=1S/C17H20BrN3O/c1-13-10-19-11-17(20-13)22-15-6-8-21(9-7-15)12-14-4-2-3-5-16(14)18/h2-5,10-11,15H,6-9,12H2,1H3
InChIKeyFLGRCDUOTWJGPE-UHFFFAOYSA-N
XLogP3.59
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine?
The IUPAC name of 2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine (CID 171702340) is 2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine.
What is the SMILES notation for 2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine?
The canonical SMILES for 2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine is Cc1cncc(OC2CCN(Cc3ccccc3Br)CC2)n1.
What is the InChIKey of 2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine?
The InChIKey is FLGRCDUOTWJGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-13-10-19-11-17(20-13)22-15-6-8-21(9-7-15)12-14-4-2-3-5-16(14)18/h2-5,10-11,15H,6-9,12H2,1H3.
What are the key properties of 2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine?
2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine has a molecular weight of 362.27 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine is sourced from PubChem (CID 171702340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).