4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole

C17H26N2O — CID 115075876

IUPAC4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole
SMILESCCN1CCC(C)(COc2cccc3c2CNC3)CC1
InChIInChI=1S/C17H26N2O/c1-3-19-9-7-17(2,8-10-19)13-20-16-6-4-5-14-11-18-12-15(14)16/h4-6,18H,3,7-13H2,1-2H3
InChIKeyVSGPHKQZLZJDAN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.79
Rot. Bonds4

About 4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole

4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole (PubChem CID 115075876) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole
PubChem CID115075876
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole
SMILESCCN1CCC(C)(COc2cccc3c2CNC3)CC1
InChIInChI=1S/C17H26N2O/c1-3-19-9-7-17(2,8-10-19)13-20-16-6-4-5-14-11-18-12-15(14)16/h4-6,18H,3,7-13H2,1-2H3
InChIKeyVSGPHKQZLZJDAN-UHFFFAOYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole with MolForge

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Related Compounds

4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075833
4-[(4-methyloxan-4-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075865
5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076115
8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076703
3-(2,3-dihydro-1H-isoindol-4-yloxymethyl)-3-methylthiane 1,1-dioxide
CID 115075883
6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076431
7-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076618
8-[(3-methylthiolan-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076784
4-[(1,4-dimethylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074436
3-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yloxymethyl)thiane 1,1-dioxide
CID 115076812
3-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yloxymethyl)thiane 1,1-dioxide
CID 115076253
5-[(1,4-dimethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075159

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole (CID 115075876) is 4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole is CCN1CCC(C)(COc2cccc3c2CNC3)CC1.
What is the InChIKey of 4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole?
The InChIKey is VSGPHKQZLZJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-19-9-7-17(2,8-10-19)13-20-16-6-4-5-14-11-18-12-15(14)16/h4-6,18H,3,7-13H2,1-2H3.
What are the key properties of 4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole?
4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole has a molecular weight of 274.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115075876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).