6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole

C15H21N3O — CID 84637869

IUPAC6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
SMILESCOc1ccc2c(CC3CNCCN3C)c[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-18-6-5-16-10-12(18)7-11-9-17-15-8-13(19-2)3-4-14(11)15/h3-4,8-9,12,16-17H,5-7,10H2,1-2H3
InChIKeyKPNFPAFJSQYYNR-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.62
Rot. Bonds3

About 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole

6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole (PubChem CID 84637869) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
PubChem CID84637869
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
SMILESCOc1ccc2c(CC3CNCCN3C)c[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-18-6-5-16-10-12(18)7-11-9-17-15-8-13(19-2)3-4-14(11)15/h3-4,8-9,12,16-17H,5-7,10H2,1-2H3
InChIKeyKPNFPAFJSQYYNR-UHFFFAOYSA-N
XLogP1.62
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
The IUPAC name of 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole (CID 84637869) is 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole.
What is the SMILES notation for 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
The canonical SMILES for 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole is COc1ccc2c(CC3CNCCN3C)c[nH]c2c1.
What is the InChIKey of 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
The InChIKey is KPNFPAFJSQYYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-6-5-16-10-12(18)7-11-9-17-15-8-13(19-2)3-4-14(11)15/h3-4,8-9,12,16-17H,5-7,10H2,1-2H3.
What are the key properties of 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole has a molecular weight of 259.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole is sourced from PubChem (CID 84637869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).