4-[3-(1-benzylindol-6-yl)propyl]morpholine

C22H26N2O — CID 170870729

IUPAC4-[3-(1-benzylindol-6-yl)propyl]morpholine
SMILESc1ccc(Cn2ccc3ccc(CCCN4CCOCC4)cc32)cc1
InChIInChI=1S/C22H26N2O/c1-2-5-20(6-3-1)18-24-12-10-21-9-8-19(17-22(21)24)7-4-11-23-13-15-25-16-14-23/h1-3,5-6,8-10,12,17H,4,7,11,13-16,18H2
InChIKeyVTXYXZJZKPEQCQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.95
Rot. Bonds6

About 4-[3-(1-benzylindol-6-yl)propyl]morpholine

4-[3-(1-benzylindol-6-yl)propyl]morpholine (PubChem CID 170870729) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-[3-(1-benzylindol-6-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(1-benzylindol-6-yl)propyl]morpholine
PubChem CID170870729
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name4-[3-(1-benzylindol-6-yl)propyl]morpholine
SMILESc1ccc(Cn2ccc3ccc(CCCN4CCOCC4)cc32)cc1
InChIInChI=1S/C22H26N2O/c1-2-5-20(6-3-1)18-24-12-10-21-9-8-19(17-22(21)24)7-4-11-23-13-15-25-16-14-23/h1-3,5-6,8-10,12,17H,4,7,11,13-16,18H2
InChIKeyVTXYXZJZKPEQCQ-UHFFFAOYSA-N
XLogP3.95
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine
CID 170870614
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
[1-(3-phenylpropyl)indol-6-yl]methanol
CID 102913034
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-[3-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869982
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
1-benzylindol-6-amine
CID 69325204
[1-(4-phenylbutyl)indol-6-yl]methanamine
CID 102916392
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
3-(3-morpholin-4-ylpropyl)benzonitrile
CID 86190356
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-[3-(2-methylquinolin-6-yl)propyl]morpholine
CID 170870051

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzylindol-6-yl)propyl]morpholine?
The IUPAC name of 4-[3-(1-benzylindol-6-yl)propyl]morpholine (CID 170870729) is 4-[3-(1-benzylindol-6-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(1-benzylindol-6-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(1-benzylindol-6-yl)propyl]morpholine is c1ccc(Cn2ccc3ccc(CCCN4CCOCC4)cc32)cc1.
What is the InChIKey of 4-[3-(1-benzylindol-6-yl)propyl]morpholine?
The InChIKey is VTXYXZJZKPEQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-5-20(6-3-1)18-24-12-10-21-9-8-19(17-22(21)24)7-4-11-23-13-15-25-16-14-23/h1-3,5-6,8-10,12,17H,4,7,11,13-16,18H2.
What are the key properties of 4-[3-(1-benzylindol-6-yl)propyl]morpholine?
4-[3-(1-benzylindol-6-yl)propyl]morpholine has a molecular weight of 334.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzylindol-6-yl)propyl]morpholine is sourced from PubChem (CID 170870729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).