7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline

C16H25N3O — CID 83956913

IUPAC7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1CN1CCNCC1)CCN(C)C2
InChIInChI=1S/C16H25N3O/c1-18-6-3-13-9-15(12-19-7-4-17-5-8-19)16(20-2)10-14(13)11-18/h9-10,17H,3-8,11-12H2,1-2H3
InChIKeyCMJVVXLJHJRKNY-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.09
Rot. Bonds3

About 7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline

7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 83956913) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID83956913
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1CN1CCNCC1)CCN(C)C2
InChIInChI=1S/C16H25N3O/c1-18-6-3-13-9-15(12-19-7-4-17-5-8-19)16(20-2)10-14(13)11-18/h9-10,17H,3-8,11-12H2,1-2H3
InChIKeyCMJVVXLJHJRKNY-UHFFFAOYSA-N
XLogP1.09
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline (CID 83956913) is 7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1CN1CCNCC1)CCN(C)C2.
What is the InChIKey of 7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is CMJVVXLJHJRKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18-6-3-13-9-15(12-19-7-4-17-5-8-19)16(20-2)10-14(13)11-18/h9-10,17H,3-8,11-12H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 275.40 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 83956913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).