7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole

C15H21N3 — CID 84630932

IUPAC7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
SMILESCc1cccc2c(CC3CN(C)CCN3)c[nH]c12
InChIInChI=1S/C15H21N3/c1-11-4-3-5-14-12(9-17-15(11)14)8-13-10-18(2)7-6-16-13/h3-5,9,13,16-17H,6-8,10H2,1-2H3
InChIKeyBUNDMVDRTMORDL-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.92
Rot. Bonds2

About 7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole

7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole (PubChem CID 84630932) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
PubChem CID84630932
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
SMILESCc1cccc2c(CC3CN(C)CCN3)c[nH]c12
InChIInChI=1S/C15H21N3/c1-11-4-3-5-14-12(9-17-15(11)14)8-13-10-18(2)7-6-16-13/h3-5,9,13,16-17H,6-8,10H2,1-2H3
InChIKeyBUNDMVDRTMORDL-UHFFFAOYSA-N
XLogP1.92
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole?
The IUPAC name of 7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole (CID 84630932) is 7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole.
What is the SMILES notation for 7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole?
The canonical SMILES for 7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole is Cc1cccc2c(CC3CN(C)CCN3)c[nH]c12.
What is the InChIKey of 7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole?
The InChIKey is BUNDMVDRTMORDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-4-3-5-14-12(9-17-15(11)14)8-13-10-18(2)7-6-16-13/h3-5,9,13,16-17H,6-8,10H2,1-2H3.
What are the key properties of 7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole?
7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole has a molecular weight of 243.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole is sourced from PubChem (CID 84630932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).