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

C16H26N4O — CID 91835025

IUPAC2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(CC3CCCOC3)CC2)n1
InChIInChI=1S/C16H26N4O/c1-13-10-17-14(2)16(18-13)20-7-5-19(6-8-20)11-15-4-3-9-21-12-15/h10,15H,3-9,11-12H2,1-2H3
InChIKeyKNRKYNSRMIAORB-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.64
Rot. Bonds3

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

2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine (PubChem CID 91835025) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine
PubChem CID91835025
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(CC3CCCOC3)CC2)n1
InChIInChI=1S/C16H26N4O/c1-13-10-17-14(2)16(18-13)20-7-5-19(6-8-20)11-15-4-3-9-21-12-15/h10,15H,3-9,11-12H2,1-2H3
InChIKeyKNRKYNSRMIAORB-UHFFFAOYSA-N
XLogP1.64
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine (CID 91835025) is 2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine is Cc1cnc(C)c(N2CCN(CC3CCCOC3)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine?
The InChIKey is KNRKYNSRMIAORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-10-17-14(2)16(18-13)20-7-5-19(6-8-20)11-15-4-3-9-21-12-15/h10,15H,3-9,11-12H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine?
2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine has a molecular weight of 290.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 91835025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).