1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole

C15H23N3 — CID 167253951

IUPAC1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole
SMILESCCN1CCc2c1cccc2N1CCN(C)CC1
InChIInChI=1S/C15H23N3/c1-3-17-8-7-13-14(17)5-4-6-15(13)18-11-9-16(2)10-12-18/h4-6H,3,7-12H2,1-2H3
InChIKeyLCAZOCJBYUXYMM-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.82
Rot. Bonds2

About 1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole

1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole (PubChem CID 167253951) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole
PubChem CID167253951
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole
SMILESCCN1CCc2c1cccc2N1CCN(C)CC1
InChIInChI=1S/C15H23N3/c1-3-17-8-7-13-14(17)5-4-6-15(13)18-11-9-16(2)10-12-18/h4-6H,3,7-12H2,1-2H3
InChIKeyLCAZOCJBYUXYMM-UHFFFAOYSA-N
XLogP1.82
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-4-yl)-4-methylpiperazine
CID 59726261
4-ethoxy-1-ethyl-2,3-dihydroindole
CID 59678208
1-methyl-4-(2-propylphenyl)piperazine
CID 21034052
2-benzyl-5-(4-ethylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline
CID 154455310
2-(4-methylpiperazin-1-yl)benzonitrile
CID 13048190
1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 20795261
2-(4-methyl-2,3-dihydroindol-1-yl)ethanol
CID 131065584
2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol
CID 160937498
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide
CID 54468521
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 21404567
1-(2,6-diethylphenyl)-4-methylpiperazine
CID 58732893
8-(4-methylpiperazin-1-yl)naphthalen-2-amine
CID 23353484

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole?
The IUPAC name of 1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole (CID 167253951) is 1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole?
The canonical SMILES for 1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole is CCN1CCc2c1cccc2N1CCN(C)CC1.
What is the InChIKey of 1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole?
The InChIKey is LCAZOCJBYUXYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-17-8-7-13-14(17)5-4-6-15(13)18-11-9-16(2)10-12-18/h4-6H,3,7-12H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole?
1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole has a molecular weight of 245.37 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole is sourced from PubChem (CID 167253951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).