5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole

C14H20N2O — CID 115075958

IUPAC5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole
SMILESCC1(Oc2ccc3c(c2)CNC3)CCNCC1
InChIInChI=1S/C14H20N2O/c1-14(4-6-15-7-5-14)17-13-3-2-11-9-16-10-12(11)8-13/h2-3,8,15-16H,4-7,9-10H2,1H3
InChIKeyWVAZHTBHORDNMH-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.81
Rot. Bonds2

About 5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole

5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole (PubChem CID 115075958) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole
PubChem CID115075958
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole
SMILESCC1(Oc2ccc3c(c2)CNC3)CCNCC1
InChIInChI=1S/C14H20N2O/c1-14(4-6-15-7-5-14)17-13-3-2-11-9-16-10-12(11)8-13/h2-3,8,15-16H,4-7,9-10H2,1H3
InChIKeyWVAZHTBHORDNMH-UHFFFAOYSA-N
XLogP1.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole (CID 115075958) is 5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole is CC1(Oc2ccc3c(c2)CNC3)CCNCC1.
What is the InChIKey of 5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole?
The InChIKey is WVAZHTBHORDNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(4-6-15-7-5-14)17-13-3-2-11-9-16-10-12(11)8-13/h2-3,8,15-16H,4-7,9-10H2,1H3.
What are the key properties of 5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole?
5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole has a molecular weight of 232.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115075958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).