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

C19H29Cl2N3O2 — CID 45283708

IUPAC1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride
SMILESCc1c(C)n(CC(O)CN2CCN(CCO)CC2)c2c(Cl)cccc12.Cl
InChIInChI=1S/C19H28ClN3O2.ClH/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;1H
InChIKeyQIPYLOFUJQTRIC-UHFFFAOYSA-N
MW402.37 g/mol
LogP2.30
Rot. Bonds6

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

1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride (PubChem CID 45283708) has the molecular formula C19H29Cl2N3O2 and a molecular weight of 402.37 g/mol. Its IUPAC name is 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride
PubChem CID45283708
Molecular FormulaC19H29Cl2N3O2
Molecular Weight402.37 g/mol
Exact Mass401.16
IUPAC Name1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride
SMILESCc1c(C)n(CC(O)CN2CCN(CCO)CC2)c2c(Cl)cccc12.Cl
InChIInChI=1S/C19H28ClN3O2.ClH/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;1H
InChIKeyQIPYLOFUJQTRIC-UHFFFAOYSA-N
XLogP2.30
TPSA51.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 52.30
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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Related Compounds

1-(3,6-dichloro-9H-carbazol-9-yl)-3-((2-methoxyethyl)amino)propan-2-ol
CID 2920941
1-(2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4229169
1-(3-Chloro-phenylamino)-3-(3,6-dichloro-carbazol-9-yl)-propan-2-ol
CID 3103959
1-Morpholin-4-yl-3-(1,2,3,4-tetrahydro-carbazol-9-yl)-propan-2-ol
CID 14415827
1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethyl-1H-indol-1-yl)propan-2-ol
CID 16188855
1-(3,6-Dichlorocarbazol-9-yl)-3-[(tert-butyl)amino]propan-2-ol
CID 2802133
1-(3,6-Dichlorocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 2836155
1-(3,6-Dichlorocarbazol-9-yl)-3-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol
CID 2836211
1-(cyclohexylamino)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
CID 2851036
1-(4-benzylpiperazin-1-yl)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
CID 2852080
1-(3,6-dichloro-9H-carbazol-9-yl)-3-[(propan-2-yl)amino]propan-2-ol
CID 2855364
1-(3,6-Dichlorocarbazol-9-yl)-3-[(methylpropyl)amino]propan-2-ol
CID 2879322

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;hydrochloride?
The IUPAC name of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride (CID 45283708) is 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride is Cc1c(C)n(CC(O)CN2CCN(CCO)CC2)c2c(Cl)cccc12.Cl.
What is the InChIKey of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride?
The InChIKey is QIPYLOFUJQTRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2.ClH/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;1H.
What are the key properties of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride?
1-(7-chloro-2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride has a molecular weight of 402.37 g/mol, XLogP of 2.30, 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;hydrochloride is sourced from PubChem (CID 45283708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).