2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline

C15H23N3 — CID 116995600

IUPAC2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCN1CCNCC1C1c2ccccc2CCN1C
InChIInChI=1S/C15H23N3/c1-17-10-8-16-11-14(17)15-13-6-4-3-5-12(13)7-9-18(15)2/h3-6,14-16H,7-11H2,1-2H3
InChIKeyIFMJGTRUROIVGZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.12
Rot. Bonds1

About 2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline

2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 116995600) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID116995600
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCN1CCNCC1C1c2ccccc2CCN1C
InChIInChI=1S/C15H23N3/c1-17-10-8-16-11-14(17)15-13-6-4-3-5-12(13)7-9-18(15)2/h3-6,14-16H,7-11H2,1-2H3
InChIKeyIFMJGTRUROIVGZ-UHFFFAOYSA-N
XLogP1.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 116995605
2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995589
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
(4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine
CID 45115727
2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine
CID 19827914
1-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 5263828
1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 67828813
[4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone
CID 21240902
5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 84717049
(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 129266150
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 23568852

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline (CID 116995600) is 2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline is CN1CCNCC1C1c2ccccc2CCN1C.
What is the InChIKey of 2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is IFMJGTRUROIVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-10-8-16-11-14(17)15-13-6-4-3-5-12(13)7-9-18(15)2/h3-6,14-16H,7-11H2,1-2H3.
What are the key properties of 2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline?
2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 245.37 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 116995600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).