1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

C19H29N3O2 — CID 3151627

IUPAC1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
SMILESCc1c(C)n(CC(O)CN2CCN(CCO)CC2)c2ccccc12
InChIInChI=1S/C19H29N3O2/c1-15-16(2)22(19-6-4-3-5-18(15)19)14-17(24)13-21-9-7-20(8-10-21)11-12-23/h3-6,17,23-24H,7-14H2,1-2H3
InChIKeyXFEOYDJUGMDZNQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.23
Rot. Bonds6

About 1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol (PubChem CID 3151627) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
PubChem CID3151627
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
SMILESCc1c(C)n(CC(O)CN2CCN(CCO)CC2)c2ccccc12
InChIInChI=1S/C19H29N3O2/c1-15-16(2)22(19-6-4-3-5-18(15)19)14-17(24)13-21-9-7-20(8-10-21)11-12-23/h3-6,17,23-24H,7-14H2,1-2H3
InChIKeyXFEOYDJUGMDZNQ-UHFFFAOYSA-N
XLogP1.23
TPSA51.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol (CID 3151627) is 1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol is Cc1c(C)n(CC(O)CN2CCN(CCO)CC2)c2ccccc12.
What is the InChIKey of 1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is XFEOYDJUGMDZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-16(2)22(19-6-4-3-5-18(15)19)14-17(24)13-21-9-7-20(8-10-21)11-12-23/h3-6,17,23-24H,7-14H2,1-2H3.
What are the key properties of 1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 331.46 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3151627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).