2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine

C16H24BrN3O2 — CID 89388695

IUPAC2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine
SMILESCN1CCC(OC2CCC(Oc3cnc(Br)cn3)CC2)CC1
InChIInChI=1S/C16H24BrN3O2/c1-20-8-6-14(7-9-20)21-12-2-4-13(5-3-12)22-16-11-18-15(17)10-19-16/h10-14H,2-9H2,1H3
InChIKeyYOFMHIVUAKPKCM-UHFFFAOYSA-N
MW370.29 g/mol
LogP3.04
Rot. Bonds4

About 2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine

2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine (PubChem CID 89388695) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine.

Molecular Properties

Compound Name2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine
PubChem CID89388695
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Name2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine
SMILESCN1CCC(OC2CCC(Oc3cnc(Br)cn3)CC2)CC1
InChIInChI=1S/C16H24BrN3O2/c1-20-8-6-14(7-9-20)21-12-2-4-13(5-3-12)22-16-11-18-15(17)10-19-16/h10-14H,2-9H2,1H3
InChIKeyYOFMHIVUAKPKCM-UHFFFAOYSA-N
XLogP3.04
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine?
The IUPAC name of 2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine (CID 89388695) is 2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine.
What is the SMILES notation for 2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine?
The canonical SMILES for 2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine is CN1CCC(OC2CCC(Oc3cnc(Br)cn3)CC2)CC1.
What is the InChIKey of 2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine?
The InChIKey is YOFMHIVUAKPKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-20-8-6-14(7-9-20)21-12-2-4-13(5-3-12)22-16-11-18-15(17)10-19-16/h10-14H,2-9H2,1H3.
What are the key properties of 2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine?
2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine has a molecular weight of 370.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine is sourced from PubChem (CID 89388695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).