2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline

C20H32N2O2 — CID 112721746

IUPAC2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2c(OC)c(CN3CCCCC3)cc(OC)c2C1C
InChIInChI=1S/C20H32N2O2/c1-5-22-12-9-17-19(15(22)2)18(23-3)13-16(20(17)24-4)14-21-10-7-6-8-11-21/h13,15H,5-12,14H2,1-4H3
InChIKeyFKCAHJVDVCFXMV-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.63
Rot. Bonds5

About 2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline

2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 112721746) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID112721746
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2c(OC)c(CN3CCCCC3)cc(OC)c2C1C
InChIInChI=1S/C20H32N2O2/c1-5-22-12-9-17-19(15(22)2)18(23-3)13-16(20(17)24-4)14-21-10-7-6-8-11-21/h13,15H,5-12,14H2,1-4H3
InChIKeyFKCAHJVDVCFXMV-UHFFFAOYSA-N
XLogP3.63
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-diethyl-5,8-dimethoxy-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 112721755
1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 83957001
2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 112721737
4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721637
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine
CID 83956740
methyl 6-[(3-hydroxypropylamino)methyl]-5,8-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721690
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperidine
CID 783473
3-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 117219368
N-ethyl-N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 112721634
N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 83956744
1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine
CID 166722775

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline (CID 112721746) is 2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline is CCN1CCc2c(OC)c(CN3CCCCC3)cc(OC)c2C1C.
What is the InChIKey of 2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is FKCAHJVDVCFXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-5-22-12-9-17-19(15(22)2)18(23-3)13-16(20(17)24-4)14-21-10-7-6-8-11-21/h13,15H,5-12,14H2,1-4H3.
What are the key properties of 2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 332.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 112721746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).