2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline

C16H25N3 — CID 143655275

IUPAC2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCN1CCN(Cc2ccc3c(c2)CCN(C)C3)CC1
InChIInChI=1S/C16H25N3/c1-17-7-9-19(10-8-17)12-14-3-4-16-13-18(2)6-5-15(16)11-14/h3-4,11H,5-10,12-13H2,1-2H3
InChIKeyFCSAEXBLEAXMDD-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.42
Rot. Bonds2

About 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline

2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 143655275) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID143655275
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCN1CCN(Cc2ccc3c(c2)CCN(C)C3)CC1
InChIInChI=1S/C16H25N3/c1-17-7-9-19(10-8-17)12-14-3-4-16-13-18(2)6-5-15(16)11-14/h3-4,11H,5-10,12-13H2,1-2H3
InChIKeyFCSAEXBLEAXMDD-UHFFFAOYSA-N
XLogP1.42
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane
CID 155201597
2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol
CID 105445307
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine
CID 170078388
7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
2-ethyl-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 112721593
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381
bis[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone;(2S)-2-hydroxypropanoic acid
CID 158155331
7-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine
CID 155400140
2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol
CID 105474708
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline (CID 143655275) is 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline is CN1CCN(Cc2ccc3c(c2)CCN(C)C3)CC1.
What is the InChIKey of 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is FCSAEXBLEAXMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-17-7-9-19(10-8-17)12-14-3-4-16-13-18(2)6-5-15(16)11-14/h3-4,11H,5-10,12-13H2,1-2H3.
What are the key properties of 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline?
2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 259.40 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 143655275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).