2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine

C18H24N4 — CID 170863154

IUPAC2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine
SMILESCN1CCN(CCCc2ccc(-c3cnccn3)cc2)CC1
InChIInChI=1S/C18H24N4/c1-21-11-13-22(14-12-21)10-2-3-16-4-6-17(7-5-16)18-15-19-8-9-20-18/h4-9,15H,2-3,10-14H2,1H3
InChIKeyAUMJRKIHWBRDKH-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.32
Rot. Bonds5

About 2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine

2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine (PubChem CID 170863154) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine.

Molecular Properties

Compound Name2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine
PubChem CID170863154
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine
SMILESCN1CCN(CCCc2ccc(-c3cnccn3)cc2)CC1
InChIInChI=1S/C18H24N4/c1-21-11-13-22(14-12-21)10-2-3-16-4-6-17(7-5-16)18-15-19-8-9-20-18/h4-9,15H,2-3,10-14H2,1H3
InChIKeyAUMJRKIHWBRDKH-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine?
The IUPAC name of 2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine (CID 170863154) is 2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine.
What is the SMILES notation for 2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine?
The canonical SMILES for 2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine is CN1CCN(CCCc2ccc(-c3cnccn3)cc2)CC1.
What is the InChIKey of 2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine?
The InChIKey is AUMJRKIHWBRDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-21-11-13-22(14-12-21)10-2-3-16-4-6-17(7-5-16)18-15-19-8-9-20-18/h4-9,15H,2-3,10-14H2,1H3.
What are the key properties of 2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine?
2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine has a molecular weight of 296.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine is sourced from PubChem (CID 170863154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).