4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol

C16H20N4O — CID 167850743

IUPAC4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol
SMILESCc1cnc(C)c(N2CCNC(c3ccc(O)cc3)C2)n1
InChIInChI=1S/C16H20N4O/c1-11-9-18-12(2)16(19-11)20-8-7-17-15(10-20)13-3-5-14(21)6-4-13/h3-6,9,15,17,21H,7-8,10H2,1-2H3
InChIKeyNGHASUZATIMDHX-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.95
Rot. Bonds2

About 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol

4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol (PubChem CID 167850743) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol
PubChem CID167850743
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol
SMILESCc1cnc(C)c(N2CCNC(c3ccc(O)cc3)C2)n1
InChIInChI=1S/C16H20N4O/c1-11-9-18-12(2)16(19-11)20-8-7-17-15(10-20)13-3-5-14(21)6-4-13/h3-6,9,15,17,21H,7-8,10H2,1-2H3
InChIKeyNGHASUZATIMDHX-UHFFFAOYSA-N
XLogP1.95
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol?
The IUPAC name of 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol (CID 167850743) is 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol.
What is the SMILES notation for 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol?
The canonical SMILES for 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol is Cc1cnc(C)c(N2CCNC(c3ccc(O)cc3)C2)n1.
What is the InChIKey of 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol?
The InChIKey is NGHASUZATIMDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-9-18-12(2)16(19-11)20-8-7-17-15(10-20)13-3-5-14(21)6-4-13/h3-6,9,15,17,21H,7-8,10H2,1-2H3.
What are the key properties of 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol?
4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol has a molecular weight of 284.36 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol is sourced from PubChem (CID 167850743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).