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

C15H22N2O — CID 115076511

IUPAC7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCC(Oc2ccc3c(c2)CNCC3)CC1
InChIInChI=1S/C15H22N2O/c1-17-8-5-14(6-9-17)18-15-3-2-12-4-7-16-11-13(12)10-15/h2-3,10,14,16H,4-9,11H2,1H3
InChIKeyNXFRROOOARKYSJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.81
Rot. Bonds2

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

7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076511) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076511
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCC(Oc2ccc3c(c2)CNCC3)CC1
InChIInChI=1S/C15H22N2O/c1-17-8-5-14(6-9-17)18-15-3-2-12-4-7-16-11-13(12)10-15/h2-3,10,14,16H,4-9,11H2,1H3
InChIKeyNXFRROOOARKYSJ-UHFFFAOYSA-N
XLogP1.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076497
7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076564
7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10266140
2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline
CID 84695976
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075407
7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076478
4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine
CID 90260319
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076616
6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076339
4-(4-iodophenoxy)-1-methylpiperidine
CID 86710870

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076511) is 7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline is CN1CCC(Oc2ccc3c(c2)CNCC3)CC1.
What is the InChIKey of 7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NXFRROOOARKYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-8-5-14(6-9-17)18-15-3-2-12-4-7-16-11-13(12)10-15/h2-3,10,14,16H,4-9,11H2,1H3.
What are the key properties of 7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 246.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).