2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine

C17H22N4O — CID 120906234

IUPAC2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine
SMILESCC1CN(Cc2ccc(Oc3cnccn3)cc2)C(C)CN1
InChIInChI=1S/C17H22N4O/c1-13-11-21(14(2)9-20-13)12-15-3-5-16(6-4-15)22-17-10-18-7-8-19-17/h3-8,10,13-14,20H,9,11-12H2,1-2H3
InChIKeyDEDXKKMERULJKP-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.45
Rot. Bonds4

About 2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine

2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine (PubChem CID 120906234) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine
PubChem CID120906234
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine
SMILESCC1CN(Cc2ccc(Oc3cnccn3)cc2)C(C)CN1
InChIInChI=1S/C17H22N4O/c1-13-11-21(14(2)9-20-13)12-15-3-5-16(6-4-15)22-17-10-18-7-8-19-17/h3-8,10,13-14,20H,9,11-12H2,1-2H3
InChIKeyDEDXKKMERULJKP-UHFFFAOYSA-N
XLogP2.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine?
The IUPAC name of 2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine (CID 120906234) is 2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine.
What is the SMILES notation for 2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine?
The canonical SMILES for 2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine is CC1CN(Cc2ccc(Oc3cnccn3)cc2)C(C)CN1.
What is the InChIKey of 2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine?
The InChIKey is DEDXKKMERULJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-11-21(14(2)9-20-13)12-15-3-5-16(6-4-15)22-17-10-18-7-8-19-17/h3-8,10,13-14,20H,9,11-12H2,1-2H3.
What are the key properties of 2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine?
2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine has a molecular weight of 298.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine is sourced from PubChem (CID 120906234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).