7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C16H24N2O — CID 115076629

IUPAC7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCCC(COc2ccc3c(c2)CNCC3)C1
InChIInChI=1S/C16H24N2O/c1-18-8-2-3-13(11-18)12-19-16-5-4-14-6-7-17-10-15(14)9-16/h4-5,9,13,17H,2-3,6-8,10-12H2,1H3
InChIKeyOPDHCAJOTRVMDU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.05
Rot. Bonds3

About 7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076629) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076629
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCCC(COc2ccc3c(c2)CNCC3)C1
InChIInChI=1S/C16H24N2O/c1-18-8-2-3-13(11-18)12-19-16-5-4-14-6-7-17-10-15(14)9-16/h4-5,9,13,17H,2-3,6-8,10-12H2,1H3
InChIKeyOPDHCAJOTRVMDU-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076478
7-[(1-ethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076602
6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076339
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076616
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076292
7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076556
7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076617
7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076497
6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076430
6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075329
7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076511
4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
CID 165429310

Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076629) is 7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CN1CCCC(COc2ccc3c(c2)CNCC3)C1.
What is the InChIKey of 7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OPDHCAJOTRVMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-8-2-3-13(11-18)12-19-16-5-4-14-6-7-17-10-15(14)9-16/h4-5,9,13,17H,2-3,6-8,10-12H2,1H3.
What are the key properties of 7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 260.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).