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

C16H25N3 — CID 116995605

IUPAC2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCN1CCNCC1CC1c2ccccc2CCN1C
InChIInChI=1S/C16H25N3/c1-18-10-8-17-12-14(18)11-16-15-6-4-3-5-13(15)7-9-19(16)2/h3-6,14,16-17H,7-12H2,1-2H3
InChIKeyOBQYVEWWVYAGJF-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.51
Rot. Bonds2

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

2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 116995605) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID116995605
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCN1CCNCC1CC1c2ccccc2CCN1C
InChIInChI=1S/C16H25N3/c1-18-10-8-17-12-14(18)11-16-15-6-4-3-5-13(15)7-9-19(16)2/h3-6,14,16-17H,7-12H2,1-2H3
InChIKeyOBQYVEWWVYAGJF-UHFFFAOYSA-N
XLogP1.51
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline (CID 116995605) is 2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline is CN1CCNCC1CC1c2ccccc2CCN1C.
What is the InChIKey of 2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is OBQYVEWWVYAGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-10-8-17-12-14(18)11-16-15-6-4-3-5-13(15)7-9-19(16)2/h3-6,14,16-17H,7-12H2,1-2H3.
What are the key properties of 2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline?
2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 259.40 g/mol, XLogP of 1.51, 2 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)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 116995605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).