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

C18H27N3 — CID 117186565

IUPAC7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
SMILESCc1cccc2cc(CN3CCN(C)CC3)n(C(C)C)c12
InChIInChI=1S/C18H27N3/c1-14(2)21-17(13-20-10-8-19(4)9-11-20)12-16-7-5-6-15(3)18(16)21/h5-7,12,14H,8-11,13H2,1-4H3
InChIKeyHIYLBQUXULTULT-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.28
Rot. Bonds3

About 7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole

7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole (PubChem CID 117186565) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole.

Molecular Properties

Compound Name7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
PubChem CID117186565
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
SMILESCc1cccc2cc(CN3CCN(C)CC3)n(C(C)C)c12
InChIInChI=1S/C18H27N3/c1-14(2)21-17(13-20-10-8-19(4)9-11-20)12-16-7-5-6-15(3)18(16)21/h5-7,12,14H,8-11,13H2,1-4H3
InChIKeyHIYLBQUXULTULT-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

7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117186562
6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186009
1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine
CID 117184052
6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117180623
4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine
CID 117184085
2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole
CID 117186618
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol
CID 117180622
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine
CID 117173772
4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117184903
4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine
CID 117184909
1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine
CID 153025858
1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine
CID 117185318

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole?
The IUPAC name of 7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole (CID 117186565) is 7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole.
What is the SMILES notation for 7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole?
The canonical SMILES for 7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole is Cc1cccc2cc(CN3CCN(C)CC3)n(C(C)C)c12.
What is the InChIKey of 7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole?
The InChIKey is HIYLBQUXULTULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)21-17(13-20-10-8-19(4)9-11-20)12-16-7-5-6-15(3)18(16)21/h5-7,12,14H,8-11,13H2,1-4H3.
What are the key properties of 7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole?
7-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 7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole is sourced from PubChem (CID 117186565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).