4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine

C20H22N2O2 — CID 154108772

IUPAC4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine
SMILESc1ccc(CN2CCOC(COc3cccc4[nH]ccc34)C2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-5-16(6-3-1)13-22-11-12-23-17(14-22)15-24-20-8-4-7-19-18(20)9-10-21-19/h1-10,17,21H,11-15H2
InChIKeyXPIOBQJSHHYHNP-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.45
Rot. Bonds5

About 4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine

4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine (PubChem CID 154108772) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine.

Molecular Properties

Compound Name4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine
PubChem CID154108772
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine
SMILESc1ccc(CN2CCOC(COc3cccc4[nH]ccc34)C2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-5-16(6-3-1)13-22-11-12-23-17(14-22)15-24-20-8-4-7-19-18(20)9-10-21-19/h1-10,17,21H,11-15H2
InChIKeyXPIOBQJSHHYHNP-UHFFFAOYSA-N
XLogP3.45
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793
(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine
CID 154704332
2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 46041237
(2S)-2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 92984994
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
(2R)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70159870
(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70161855
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine
CID 11176211

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine?
The IUPAC name of 4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine (CID 154108772) is 4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine.
What is the SMILES notation for 4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine?
The canonical SMILES for 4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine is c1ccc(CN2CCOC(COc3cccc4[nH]ccc34)C2)cc1.
What is the InChIKey of 4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine?
The InChIKey is XPIOBQJSHHYHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-5-16(6-3-1)13-22-11-12-23-17(14-22)15-24-20-8-4-7-19-18(20)9-10-21-19/h1-10,17,21H,11-15H2.
What are the key properties of 4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine?
4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine has a molecular weight of 322.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine is sourced from PubChem (CID 154108772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).