1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol

C18H27N3O — CID 4229169

IUPAC1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCc1c(C)n(CC(O)CN2CCN(C)CC2)c2ccccc12
InChIInChI=1S/C18H27N3O/c1-14-15(2)21(18-7-5-4-6-17(14)18)13-16(22)12-20-10-8-19(3)9-11-20/h4-7,16,22H,8-13H2,1-3H3
InChIKeyMDCXXVFGZPWVSQ-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.87
Rot. Bonds4

About 1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol

1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 4229169) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID4229169
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCc1c(C)n(CC(O)CN2CCN(C)CC2)c2ccccc12
InChIInChI=1S/C18H27N3O/c1-14-15(2)21(18-7-5-4-6-17(14)18)13-16(22)12-20-10-8-19(3)9-11-20/h4-7,16,22H,8-13H2,1-3H3
InChIKeyMDCXXVFGZPWVSQ-UHFFFAOYSA-N
XLogP1.87
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 4229169) is 1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol is Cc1c(C)n(CC(O)CN2CCN(C)CC2)c2ccccc12.
What is the InChIKey of 1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is MDCXXVFGZPWVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-15(2)21(18-7-5-4-6-17(14)18)13-16(22)12-20-10-8-19(3)9-11-20/h4-7,16,22H,8-13H2,1-3H3.
What are the key properties of 1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 301.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 4229169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).