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

C18H27ClN4 — CID 86304754

IUPAC2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole;hydrochloride
SMILESCN1CCN(CCN2CCn3c(cc4ccccc43)C2)CC1.Cl
InChIInChI=1S/C18H26N4.ClH/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;1H
InChIKeyDVGPHZQNCMMOMP-UHFFFAOYSA-N
MW334.89 g/mol
LogP2.13
Rot. Bonds3

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

2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole;hydrochloride (PubChem CID 86304754) has the molecular formula C18H27ClN4 and a molecular weight of 334.89 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole;hydrochloride
PubChem CID86304754
Molecular FormulaC18H27ClN4
Molecular Weight334.89 g/mol
Exact Mass334.19
IUPAC Name2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole;hydrochloride
SMILESCN1CCN(CCN2CCn3c(cc4ccccc43)C2)CC1.Cl
InChIInChI=1S/C18H26N4.ClH/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;1H
InChIKeyDVGPHZQNCMMOMP-UHFFFAOYSA-N
XLogP2.13
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 52.13
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;hydrochloride?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole;hydrochloride (CID 86304754) is 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole;hydrochloride.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole;hydrochloride?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole;hydrochloride is CN1CCN(CCN2CCn3c(cc4ccccc43)C2)CC1.Cl.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole;hydrochloride?
The InChIKey is DVGPHZQNCMMOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4.ClH/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;1H.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole;hydrochloride?
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 2.13, 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;hydrochloride is sourced from PubChem (CID 86304754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).