2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole

C23H28N2O — CID 141042142

IUPAC2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole
SMILESCc1ccc(OCCN2CCC(Cn3cc4ccccc4c3)CC2)cc1
InChIInChI=1S/C23H28N2O/c1-19-6-8-23(9-7-19)26-15-14-24-12-10-20(11-13-24)16-25-17-21-4-2-3-5-22(21)18-25/h2-9,17-18,20H,10-16H2,1H3
InChIKeyXTVGFERHIIFXJJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.74
Rot. Bonds6

About 2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole

2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole (PubChem CID 141042142) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole.

Molecular Properties

Compound Name2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole
PubChem CID141042142
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole
SMILESCc1ccc(OCCN2CCC(Cn3cc4ccccc4c3)CC2)cc1
InChIInChI=1S/C23H28N2O/c1-19-6-8-23(9-7-19)26-15-14-24-12-10-20(11-13-24)16-25-17-21-4-2-3-5-22(21)18-25/h2-9,17-18,20H,10-16H2,1H3
InChIKeyXTVGFERHIIFXJJ-UHFFFAOYSA-N
XLogP4.74
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 19085451
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methanamine
CID 28803272
but-2-enedioic acid;2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
CID 69372874
4-[(4-methylphenyl)methyl]-1-[2-(4-nitrophenoxy)ethyl]piperidine
CID 23294237
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol
CID 60768272
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593626

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole?
The IUPAC name of 2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole (CID 141042142) is 2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole.
What is the SMILES notation for 2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole?
The canonical SMILES for 2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole is Cc1ccc(OCCN2CCC(Cn3cc4ccccc4c3)CC2)cc1.
What is the InChIKey of 2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole?
The InChIKey is XTVGFERHIIFXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-19-6-8-23(9-7-19)26-15-14-24-12-10-20(11-13-24)16-25-17-21-4-2-3-5-22(21)18-25/h2-9,17-18,20H,10-16H2,1H3.
What are the key properties of 2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole?
2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole has a molecular weight of 348.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole is sourced from PubChem (CID 141042142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).