3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine

C19H26N4 — CID 50982987

IUPAC3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3ccc(C)c(C)c3)CC2)n1
InChIInChI=1S/C19H26N4/c1-14-5-6-18(11-15(14)2)13-22-7-9-23(10-8-22)19-17(4)20-12-16(3)21-19/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyXNTDQSFFPRIXRG-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.03
Rot. Bonds3

About 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine

3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine (PubChem CID 50982987) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine
PubChem CID50982987
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3ccc(C)c(C)c3)CC2)n1
InChIInChI=1S/C19H26N4/c1-14-5-6-18(11-15(14)2)13-22-7-9-23(10-8-22)19-17(4)20-12-16(3)21-19/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyXNTDQSFFPRIXRG-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The IUPAC name of 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine (CID 50982987) is 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The canonical SMILES for 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine is Cc1cnc(C)c(N2CCN(Cc3ccc(C)c(C)c3)CC2)n1.
What is the InChIKey of 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The InChIKey is XNTDQSFFPRIXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-14-5-6-18(11-15(14)2)13-22-7-9-23(10-8-22)19-17(4)20-12-16(3)21-19/h5-6,11-12H,7-10,13H2,1-4H3.
What are the key properties of 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine has a molecular weight of 310.45 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine is sourced from PubChem (CID 50982987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).