6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline

C17H26N2O2 — CID 112511947

IUPAC6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C1CCN(C)CC1)NCC2
InChIInChI=1S/C17H26N2O2/c1-19-8-5-12(6-9-19)17-14-11-16(21-3)15(20-2)10-13(14)4-7-18-17/h10-12,17-18H,4-9H2,1-3H3
InChIKeyIBMNPUDBKORRAN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds3

About 6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline

6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 112511947) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID112511947
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C1CCN(C)CC1)NCC2
InChIInChI=1S/C17H26N2O2/c1-19-8-5-12(6-9-19)17-14-11-16(21-3)15(20-2)10-13(14)4-7-18-17/h10-12,17-18H,4-9H2,1-3H3
InChIKeyIBMNPUDBKORRAN-UHFFFAOYSA-N
XLogP2.23
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 71422083
2-[[4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexyl]methyl]isoindole-1,3-dione
CID 19610217
1-chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141053533
6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 133108295
(1S)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12665035
(1S)-1-tert-butyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 42056014
1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64688200
6,7-dimethoxy-1-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 68647970
1-cyclopropyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 14939993
6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83970448
1-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3969108
(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 96980269

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline (CID 112511947) is 6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)C(C1CCN(C)CC1)NCC2.
What is the InChIKey of 6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is IBMNPUDBKORRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-8-5-12(6-9-19)17-14-11-16(21-3)15(20-2)10-13(14)4-7-18-17/h10-12,17-18H,4-9H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 290.41 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 112511947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).