7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C19H30N2O — CID 115076635

IUPAC7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCCC(C)(COc2ccc3c(c2)CNCC3)C1
InChIInChI=1S/C19H30N2O/c1-15(2)21-10-4-8-19(3,13-21)14-22-18-6-5-16-7-9-20-12-17(16)11-18/h5-6,11,15,20H,4,7-10,12-14H2,1-3H3
InChIKeyZJYLXGDCUUHBPR-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.22
Rot. Bonds4

About 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076635) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076635
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCCC(C)(COc2ccc3c(c2)CNCC3)C1
InChIInChI=1S/C19H30N2O/c1-15(2)21-10-4-8-19(3,13-21)14-22-18-6-5-16-7-9-20-12-17(16)11-18/h5-6,11,15,20H,4,7-10,12-14H2,1-3H3
InChIKeyZJYLXGDCUUHBPR-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075542
7-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076618
7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076530
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076573
5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075931
6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076431
7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076617
6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076372
6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076405
6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076430
7-[(1,3-dimethylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075538
7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076487

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076635) is 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CC(C)N1CCCC(C)(COc2ccc3c(c2)CNCC3)C1.
What is the InChIKey of 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZJYLXGDCUUHBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15(2)21-10-4-8-19(3,13-21)14-22-18-6-5-16-7-9-20-12-17(16)11-18/h5-6,11,15,20H,4,7-10,12-14H2,1-3H3.
What are the key properties of 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 302.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).