6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole

C18H27N3 — CID 117186009

IUPAC6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
SMILESCc1ccc2cc(CN3CCN(C)CC3)n(C(C)C)c2c1
InChIInChI=1S/C18H27N3/c1-14(2)21-17(13-20-9-7-19(4)8-10-20)12-16-6-5-15(3)11-18(16)21/h5-6,11-12,14H,7-10,13H2,1-4H3
InChIKeyAOSRYDKGZCIZKJ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.28
Rot. Bonds3

About 6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole

6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole (PubChem CID 117186009) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole.

Molecular Properties

Compound Name6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
PubChem CID117186009
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
SMILESCc1ccc2cc(CN3CCN(C)CC3)n(C(C)C)c2c1
InChIInChI=1S/C18H27N3/c1-14(2)21-17(13-20-9-7-19(4)8-10-20)12-16-6-5-15(3)11-18(16)21/h5-6,11-12,14H,7-10,13H2,1-4H3
InChIKeyAOSRYDKGZCIZKJ-UHFFFAOYSA-N
XLogP3.28
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117180623
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol
CID 117180622
(6-methyl-1-propan-2-ylindol-2-yl)methanamine
CID 117122698
7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186565
N-methyl-1-(6-methyl-1-propan-2-ylindol-2-yl)methanamine
CID 117185996
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine
CID 117173772
2-(ethoxymethyl)-6-methyl-1-propan-2-ylindole
CID 117186061
5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177142
5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117177164
5-chloro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177143
1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine
CID 117180617
1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine
CID 117185318

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole?
The IUPAC name of 6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole (CID 117186009) is 6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole.
What is the SMILES notation for 6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole?
The canonical SMILES for 6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole is Cc1ccc2cc(CN3CCN(C)CC3)n(C(C)C)c2c1.
What is the InChIKey of 6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole?
The InChIKey is AOSRYDKGZCIZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)21-17(13-20-9-7-19(4)8-10-20)12-16-6-5-15(3)11-18(16)21/h5-6,11-12,14H,7-10,13H2,1-4H3.
What are the key properties of 6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole?
6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole has a molecular weight of 285.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole is sourced from PubChem (CID 117186009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).