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

C17H25N3O — CID 117180622

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol
SMILESCC(C)n1c(CN2CCN(C)CC2)cc2ccc(O)cc21
InChIInChI=1S/C17H25N3O/c1-13(2)20-15(12-19-8-6-18(3)7-9-19)10-14-4-5-16(21)11-17(14)20/h4-5,10-11,13,21H,6-9,12H2,1-3H3
InChIKeyFINKNWIUBLFLFV-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.68
Rot. Bonds3

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

2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol (PubChem CID 117180622) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol
PubChem CID117180622
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol
SMILESCC(C)n1c(CN2CCN(C)CC2)cc2ccc(O)cc21
InChIInChI=1S/C17H25N3O/c1-13(2)20-15(12-19-8-6-18(3)7-9-19)10-14-4-5-16(21)11-17(14)20/h4-5,10-11,13,21H,6-9,12H2,1-3H3
InChIKeyFINKNWIUBLFLFV-UHFFFAOYSA-N
XLogP2.68
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186009
6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117180623
1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one
CID 117196062
2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol
CID 117180764
2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol
CID 117180534
7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186565
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine
CID 117173772
3-(6-hydroxy-1-propan-2-ylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117196091
1-ethyl-2-(morpholin-4-ylmethyl)indol-6-ol
CID 117180604
5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177142
1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine
CID 117180617
5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117177164

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol (CID 117180622) is 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol is CC(C)n1c(CN2CCN(C)CC2)cc2ccc(O)cc21.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol?
The InChIKey is FINKNWIUBLFLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)20-15(12-19-8-6-18(3)7-9-19)10-14-4-5-16(21)11-17(14)20/h4-5,10-11,13,21H,6-9,12H2,1-3H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol?
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol has a molecular weight of 287.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol is sourced from PubChem (CID 117180622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).