5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole

C15H22N2O — CID 115076103

IUPAC5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole
SMILESCN1CCCC(C)(Oc2ccc3c(c2)CNC3)C1
InChIInChI=1S/C15H22N2O/c1-15(6-3-7-17(2)11-15)18-14-5-4-12-9-16-10-13(12)8-14/h4-5,8,16H,3,6-7,9-11H2,1-2H3
InChIKeyBLSQEKYZRAYTIJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.15
Rot. Bonds2

About 5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole

5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole (PubChem CID 115076103) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole
PubChem CID115076103
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole
SMILESCN1CCCC(C)(Oc2ccc3c(c2)CNC3)C1
InChIInChI=1S/C15H22N2O/c1-15(6-3-7-17(2)11-15)18-14-5-4-12-9-16-10-13(12)8-14/h4-5,8,16H,3,6-7,9-11H2,1-2H3
InChIKeyBLSQEKYZRAYTIJ-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole (CID 115076103) is 5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole is CN1CCCC(C)(Oc2ccc3c(c2)CNC3)C1.
What is the InChIKey of 5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole?
The InChIKey is BLSQEKYZRAYTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(6-3-7-17(2)11-15)18-14-5-4-12-9-16-10-13(12)8-14/h4-5,8,16H,3,6-7,9-11H2,1-2H3.
What are the key properties of 5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole?
5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole has a molecular weight of 246.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115076103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).