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

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Related Compounds

2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 64978933
2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine
CID 99788164
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
CID 114702065
2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877
2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine
CID 120906110
2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine
CID 154881106
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
CID 64844873
2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120905953
2-[4-[[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methyl]phenoxy]pyrazine
CID 97160514
2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine
CID 120906410
5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120906404

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).