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

C19H28N4 — CID 86304594

IUPAC2-[2-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCC(CN1CCn2c(cc3ccccc32)C1)N1CCN(C)CC1
InChIInChI=1S/C19H28N4/c1-16(22-10-7-20(2)8-11-22)14-21-9-12-23-18(15-21)13-17-5-3-4-6-19(17)23/h3-6,13,16H,7-12,14-15H2,1-2H3
InChIKeyVOVJERCEBLGEJT-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.09
Rot. Bonds3

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

2-[2-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole (PubChem CID 86304594) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole
PubChem CID86304594
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2-[2-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCC(CN1CCn2c(cc3ccccc32)C1)N1CCN(C)CC1
InChIInChI=1S/C19H28N4/c1-16(22-10-7-20(2)8-11-22)14-21-9-12-23-18(15-21)13-17-5-3-4-6-19(17)23/h3-6,13,16H,7-12,14-15H2,1-2H3
InChIKeyVOVJERCEBLGEJT-UHFFFAOYSA-N
XLogP2.09
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.09
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)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole (CID 86304594) is 2-[2-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole is CC(CN1CCn2c(cc3ccccc32)C1)N1CCN(C)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The InChIKey is VOVJERCEBLGEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-16(22-10-7-20(2)8-11-22)14-21-9-12-23-18(15-21)13-17-5-3-4-6-19(17)23/h3-6,13,16H,7-12,14-15H2,1-2H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
2-[2-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole has a molecular weight of 312.46 g/mol, XLogP of 2.09, 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)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 86304594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).