2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole

C18H26N4 — CID 86304755

IUPAC2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCN1CCN(CCN2CCn3c(cc4ccccc43)C2)CC1
InChIInChI=1S/C18H26N4/c1-19-6-8-20(9-7-19)10-11-21-12-13-22-17(15-21)14-16-4-2-3-5-18(16)22/h2-5,14H,6-13,15H2,1H3
InChIKeyKMYCXNZTYRTQNP-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.70
Rot. Bonds3

About 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole

2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole (PubChem CID 86304755) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole
PubChem CID86304755
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCN1CCN(CCN2CCn3c(cc4ccccc43)C2)CC1
InChIInChI=1S/C18H26N4/c1-19-6-8-20(9-7-19)10-11-21-12-13-22-17(15-21)14-16-4-2-3-5-18(16)22/h2-5,14H,6-13,15H2,1H3
InChIKeyKMYCXNZTYRTQNP-UHFFFAOYSA-N
XLogP1.70
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole (CID 86304755) is 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole is CN1CCN(CCN2CCn3c(cc4ccccc43)C2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The InChIKey is KMYCXNZTYRTQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-19-6-8-20(9-7-19)10-11-21-12-13-22-17(15-21)14-16-4-2-3-5-18(16)22/h2-5,14H,6-13,15H2,1H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole has a molecular weight of 298.43 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 86304755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).