5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole

C23H29N3O — CID 22074571

IUPAC5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole
SMILESCOc1ccc2c(c1)cc(CN1CCN(CCc3ccccc3)CC1)n2C
InChIInChI=1S/C23H29N3O/c1-24-21(16-20-17-22(27-2)8-9-23(20)24)18-26-14-12-25(13-15-26)11-10-19-6-4-3-5-7-19/h3-9,16-17H,10-15,18H2,1-2H3
InChIKeySLIYPLGEJVBDGS-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.55
Rot. Bonds6

About 5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole

5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole (PubChem CID 22074571) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole.

Molecular Properties

Compound Name5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole
PubChem CID22074571
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole
SMILESCOc1ccc2c(c1)cc(CN1CCN(CCc3ccccc3)CC1)n2C
InChIInChI=1S/C23H29N3O/c1-24-21(16-20-17-22(27-2)8-9-23(20)24)18-26-14-12-25(13-15-26)11-10-19-6-4-3-5-7-19/h3-9,16-17H,10-15,18H2,1-2H3
InChIKeySLIYPLGEJVBDGS-UHFFFAOYSA-N
XLogP3.55
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole?
The IUPAC name of 5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole (CID 22074571) is 5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole.
What is the SMILES notation for 5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole?
The canonical SMILES for 5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole is COc1ccc2c(c1)cc(CN1CCN(CCc3ccccc3)CC1)n2C.
What is the InChIKey of 5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole?
The InChIKey is SLIYPLGEJVBDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-24-21(16-20-17-22(27-2)8-9-23(20)24)18-26-14-12-25(13-15-26)11-10-19-6-4-3-5-7-19/h3-9,16-17H,10-15,18H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole?
5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole has a molecular weight of 363.51 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole is sourced from PubChem (CID 22074571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).