2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine

C18H28N4 — CID 83948925

IUPAC2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
SMILESCc1ccc2c(c1)c(CCCN1CCNCC1)cn2CCN
InChIInChI=1S/C18H28N4/c1-15-4-5-18-17(13-15)16(14-22(18)10-6-19)3-2-9-21-11-7-20-8-12-21/h4-5,13-14,20H,2-3,6-12,19H2,1H3
InChIKeyRHJMULVZRJAPOP-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.75
Rot. Bonds6

About 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine

2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine (PubChem CID 83948925) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
PubChem CID83948925
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
SMILESCc1ccc2c(c1)c(CCCN1CCNCC1)cn2CCN
InChIInChI=1S/C18H28N4/c1-15-4-5-18-17(13-15)16(14-22(18)10-6-19)3-2-9-21-11-7-20-8-12-21/h4-5,13-14,20H,2-3,6-12,19H2,1H3
InChIKeyRHJMULVZRJAPOP-UHFFFAOYSA-N
XLogP1.75
TPSA46.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
CID 83949052
methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate
CID 83949055
1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948856
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole
CID 83949058
1-[3-(2-bromo-4-methylphenyl)propyl]piperazine
CID 82308191
2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol
CID 83947668
1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
CID 83949003
2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719753
5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole
CID 155559147
1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole
CID 170868364
2-[5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetic acid
CID 83947404

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine?
The IUPAC name of 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine (CID 83948925) is 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine is Cc1ccc2c(c1)c(CCCN1CCNCC1)cn2CCN.
What is the InChIKey of 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine?
The InChIKey is RHJMULVZRJAPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-15-4-5-18-17(13-15)16(14-22(18)10-6-19)3-2-9-21-11-7-20-8-12-21/h4-5,13-14,20H,2-3,6-12,19H2,1H3.
What are the key properties of 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine?
2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine has a molecular weight of 300.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine is sourced from PubChem (CID 83948925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).