4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline

C25H34N2O2 — CID 11668368

IUPAC4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ccc32)cc1
InChIInChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
InChIKeyQSLOOQBYTWFYSN-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.53
Rot. Bonds7

About 4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline

4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline (PubChem CID 11668368) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline
PubChem CID11668368
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ccc32)cc1
InChIInChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
InChIKeyQSLOOQBYTWFYSN-UHFFFAOYSA-N
XLogP4.53
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline (CID 11668368) is 4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline is COc1ccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ccc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline?
The InChIKey is QSLOOQBYTWFYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline?
4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline has a molecular weight of 394.56 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11668368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).