1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole

C19H29N3 — CID 83948919

IUPAC1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCCn1cc(CCCN2CCNCC2)c2c(C)cc(C)cc21
InChIInChI=1S/C19H29N3/c1-4-22-14-17(6-5-9-21-10-7-20-8-11-21)19-16(3)12-15(2)13-18(19)22/h12-14,20H,4-11H2,1-3H3
InChIKeyVAMRKFDIDIIRBL-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.12
Rot. Bonds5

About 1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole

1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole (PubChem CID 83948919) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole.

Molecular Properties

Compound Name1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
PubChem CID83948919
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCCn1cc(CCCN2CCNCC2)c2c(C)cc(C)cc21
InChIInChI=1S/C19H29N3/c1-4-22-14-17(6-5-9-21-10-7-20-8-11-21)19-16(3)12-15(2)13-18(19)22/h12-14,20H,4-11H2,1-3H3
InChIKeyVAMRKFDIDIIRBL-UHFFFAOYSA-N
XLogP3.12
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole
CID 83948952
1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
CID 83949003
1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948856
1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 82502267
1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
CID 83949052
3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
CID 83948930
2-[4,7-dimethyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetic acid
CID 83947579
2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
CID 83948925
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
2-[5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetic acid
CID 83947404
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1-[3-(2-bromo-4-methylphenyl)propyl]piperazine
CID 82308191

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole?
The IUPAC name of 1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole (CID 83948919) is 1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole.
What is the SMILES notation for 1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole?
The canonical SMILES for 1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole is CCn1cc(CCCN2CCNCC2)c2c(C)cc(C)cc21.
What is the InChIKey of 1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole?
The InChIKey is VAMRKFDIDIIRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-4-22-14-17(6-5-9-21-10-7-20-8-11-21)19-16(3)12-15(2)13-18(19)22/h12-14,20H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole?
1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole has a molecular weight of 299.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole is sourced from PubChem (CID 83948919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).