5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline

C25H34N2O2 — CID 14577418

IUPAC5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(OC)c2c1CCN(CC1CCN(Cc3cccc(C)c3)CC1)C2
InChIInChI=1S/C25H34N2O2/c1-19-5-4-6-21(15-19)17-26-12-9-20(10-13-26)16-27-14-11-22-23(18-27)25(29-3)8-7-24(22)28-2/h4-8,15,20H,9-14,16-18H2,1-3H3
InChIKeyCTECNJMBNGCCTA-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.28
Rot. Bonds6

About 5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline

5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 14577418) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID14577418
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(OC)c2c1CCN(CC1CCN(Cc3cccc(C)c3)CC1)C2
InChIInChI=1S/C25H34N2O2/c1-19-5-4-6-21(15-19)17-26-12-9-20(10-13-26)16-27-14-11-22-23(18-27)25(29-3)8-7-24(22)28-2/h4-8,15,20H,9-14,16-18H2,1-3H3
InChIKeyCTECNJMBNGCCTA-UHFFFAOYSA-N
XLogP4.28
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

bis((E)-but-2-enedioic acid);5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 14577419
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 1148322
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine
CID 90493809
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
[3-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(3-ethoxyphenyl)methanone;hydrochloride
CID 142638246
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429
N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 67821615
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45012607
2-fluoro-5,6-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3H-inden-1-one;hydrochloride
CID 10204115

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline (CID 14577418) is 5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline is COc1ccc(OC)c2c1CCN(CC1CCN(Cc3cccc(C)c3)CC1)C2.
What is the InChIKey of 5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is CTECNJMBNGCCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-19-5-4-6-21(15-19)17-26-12-9-20(10-13-26)16-27-14-11-22-23(18-27)25(29-3)8-7-24(22)28-2/h4-8,15,20H,9-14,16-18H2,1-3H3.
What are the key properties of 5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline?
5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 394.56 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 14577418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).