2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole

C14H20N2O — CID 84695982

IUPAC2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole
SMILESCN1Cc2cccc(OC3CCCNC3)c2C1
InChIInChI=1S/C14H20N2O/c1-16-9-11-4-2-6-14(13(11)10-16)17-12-5-3-7-15-8-12/h2,4,6,12,15H,3,5,7-10H2,1H3
InChIKeyHEEGVNVOSKBEAY-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.76
Rot. Bonds2

About 2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole

2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole (PubChem CID 84695982) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole
PubChem CID84695982
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole
SMILESCN1Cc2cccc(OC3CCCNC3)c2C1
InChIInChI=1S/C14H20N2O/c1-16-9-11-4-2-6-14(13(11)10-16)17-12-5-3-7-15-8-12/h2,4,6,12,15H,3,5,7-10H2,1H3
InChIKeyHEEGVNVOSKBEAY-UHFFFAOYSA-N
XLogP1.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole
CID 84683934
4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole
CID 115075917
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)piperidine
CID 26191291
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
CID 26191920
3-(2-iodophenoxy)piperidine
CID 56831165
(3R)-3-phenoxypiperidine
CID 42553363
3-(2-ethoxyphenoxy)piperidine;hydrochloride
CID 118366272
1-methyl-7-pyrrolidin-3-yloxy-2,3-dihydroindole
CID 84683935
1-methyl-5-pyrrolidin-3-yloxy-3,4-dihydroquinolin-2-one
CID 117209696
5-(1-methylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076283
(3R)-3-(2-piperidin-4-ylphenoxy)piperidine
CID 58817373
8-[(3R)-piperidin-3-yl]oxyquinoline
CID 26191562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole?
The IUPAC name of 2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole (CID 84695982) is 2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole.
What is the SMILES notation for 2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole?
The canonical SMILES for 2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole is CN1Cc2cccc(OC3CCCNC3)c2C1.
What is the InChIKey of 2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole?
The InChIKey is HEEGVNVOSKBEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-9-11-4-2-6-14(13(11)10-16)17-12-5-3-7-15-8-12/h2,4,6,12,15H,3,5,7-10H2,1H3.
What are the key properties of 2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole?
2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole has a molecular weight of 232.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole is sourced from PubChem (CID 84695982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).