1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

C19H28ClN3O2 — CID 17028363

IUPAC1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
SMILESCc1c(C)n(CC(O)CN2CCN(CCO)CC2)c2c(Cl)cccc12
InChIInChI=1S/C19H28ClN3O2/c1-14-15(2)23(19-17(14)4-3-5-18(19)20)13-16(25)12-22-8-6-21(7-9-22)10-11-24/h3-5,16,24-25H,6-13H2,1-2H3
InChIKeyYRAVXVBOUFWHEE-UHFFFAOYSA-N
MW365.91 g/mol
LogP1.88
Rot. Bonds6

About 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol (PubChem CID 17028363) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
PubChem CID17028363
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
SMILESCc1c(C)n(CC(O)CN2CCN(CCO)CC2)c2c(Cl)cccc12
InChIInChI=1S/C19H28ClN3O2/c1-14-15(2)23(19-17(14)4-3-5-18(19)20)13-16(25)12-22-8-6-21(7-9-22)10-11-24/h3-5,16,24-25H,6-13H2,1-2H3
InChIKeyYRAVXVBOUFWHEE-UHFFFAOYSA-N
XLogP1.88
TPSA51.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-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-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol (CID 17028363) is 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol is Cc1c(C)n(CC(O)CN2CCN(CCO)CC2)c2c(Cl)cccc12.
What is the InChIKey of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is YRAVXVBOUFWHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-14-15(2)23(19-17(14)4-3-5-18(19)20)13-16(25)12-22-8-6-21(7-9-22)10-11-24/h3-5,16,24-25H,6-13H2,1-2H3.
What are the key properties of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 365.91 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 17028363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).