8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline

C17H26N2O — CID 115076703

IUPAC8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CCC(C)(Oc2cccc3c2CNCC3)CC1
InChIInChI=1S/C17H26N2O/c1-3-19-11-8-17(2,9-12-19)20-16-6-4-5-14-7-10-18-13-15(14)16/h4-6,18H,3,7-13H2,1-2H3
InChIKeyJDBKMXHNSQHEFA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds3

About 8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline

8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076703) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076703
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CCC(C)(Oc2cccc3c2CNCC3)CC1
InChIInChI=1S/C17H26N2O/c1-3-19-11-8-17(2,9-12-19)20-16-6-4-5-14-7-10-18-13-15(14)16/h4-6,18H,3,7-13H2,1-2H3
InChIKeyJDBKMXHNSQHEFA-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076690
8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076678
8-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076748
5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076117
4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075876
5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076136
8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076718
4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115074411
8-[(3-methylthiolan-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076784
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076749
5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076189
5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076184

Frequently Asked Questions

What is the IUPAC name of 8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076703) is 8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline is CCN1CCC(C)(Oc2cccc3c2CNCC3)CC1.
What is the InChIKey of 8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JDBKMXHNSQHEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-19-11-8-17(2,9-12-19)20-16-6-4-5-14-7-10-18-13-15(14)16/h4-6,18H,3,7-13H2,1-2H3.
What are the key properties of 8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 274.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).