5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole

C16H24N2O — CID 82164132

IUPAC5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole
SMILESCOc1ccc2c(c1)CN(CCC1CCCCN1)C2
InChIInChI=1S/C16H24N2O/c1-19-16-6-5-13-11-18(12-14(13)10-16)9-7-15-4-2-3-8-17-15/h5-6,10,15,17H,2-4,7-9,11-12H2,1H3
InChIKeyMHWAWWBTBXIUCO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.54
Rot. Bonds4

About 5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole

5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole (PubChem CID 82164132) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole
PubChem CID82164132
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole
SMILESCOc1ccc2c(c1)CN(CCC1CCCCN1)C2
InChIInChI=1S/C16H24N2O/c1-19-16-6-5-13-11-18(12-14(13)10-16)9-7-15-4-2-3-8-17-15/h5-6,10,15,17H,2-4,7-9,11-12H2,1H3
InChIKeyMHWAWWBTBXIUCO-UHFFFAOYSA-N
XLogP2.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine
CID 101104166
6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one
CID 82151396
2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408872
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile
CID 81305377
1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
CID 117405725
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563552
2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine
CID 81148091
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119760453

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole?
The IUPAC name of 5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole (CID 82164132) is 5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole.
What is the SMILES notation for 5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole?
The canonical SMILES for 5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole is COc1ccc2c(c1)CN(CCC1CCCCN1)C2.
What is the InChIKey of 5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole?
The InChIKey is MHWAWWBTBXIUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-16-6-5-13-11-18(12-14(13)10-16)9-7-15-4-2-3-8-17-15/h5-6,10,15,17H,2-4,7-9,11-12H2,1H3.
What are the key properties of 5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole?
5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole has a molecular weight of 260.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole is sourced from PubChem (CID 82164132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).