2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine

C16H18N4O2 — CID 2454274

IUPAC2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine
SMILESc1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cn1
InChIInChI=1S/C16H18N4O2/c1-2-14-15(22-12-21-14)9-13(1)11-19-5-7-20(8-6-19)16-10-17-3-4-18-16/h1-4,9-10H,5-8,11-12H2
InChIKeySWOQSJIFKUOVDV-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.53
Rot. Bonds3

About 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine (PubChem CID 2454274) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine
PubChem CID2454274
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine
SMILESc1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cn1
InChIInChI=1S/C16H18N4O2/c1-2-14-15(22-12-21-14)9-13(1)11-19-5-7-20(8-6-19)16-10-17-3-4-18-16/h1-4,9-10H,5-8,11-12H2
InChIKeySWOQSJIFKUOVDV-UHFFFAOYSA-N
XLogP1.53
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine (CID 2454274) is 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine is c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cn1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine?
The InChIKey is SWOQSJIFKUOVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-14-15(22-12-21-14)9-13(1)11-19-5-7-20(8-6-19)16-10-17-3-4-18-16/h1-4,9-10H,5-8,11-12H2.
What are the key properties of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine?
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine has a molecular weight of 298.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 2454274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).