5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole

C18H27N3 — CID 83949058

IUPAC5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole
SMILESCc1ccc2c(c1)c(CCN1CCNCC1)cn2C(C)C
InChIInChI=1S/C18H27N3/c1-14(2)21-13-16(6-9-20-10-7-19-8-11-20)17-12-15(3)4-5-18(17)21/h4-5,12-14,19H,6-11H2,1-3H3
InChIKeyAXGURNPVOUSTAH-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.98
Rot. Bonds4

About 5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole

5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole (PubChem CID 83949058) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole.

Molecular Properties

Compound Name5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole
PubChem CID83949058
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole
SMILESCc1ccc2c(c1)c(CCN1CCNCC1)cn2C(C)C
InChIInChI=1S/C18H27N3/c1-14(2)21-13-16(6-9-20-10-7-19-8-11-20)17-12-15(3)4-5-18(17)21/h4-5,12-14,19H,6-11H2,1-3H3
InChIKeyAXGURNPVOUSTAH-UHFFFAOYSA-N
XLogP2.98
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
CID 83949052
5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185169
2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
CID 83948925
4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117185177
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde
CID 115006226
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate
CID 83949055
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719753
1,5-dimethyl-3-(2-piperazin-1-ylethyl)indole-6-carboxylic acid
CID 83946995
1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine
CID 82264703

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole?
The IUPAC name of 5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole (CID 83949058) is 5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole.
What is the SMILES notation for 5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole?
The canonical SMILES for 5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole is Cc1ccc2c(c1)c(CCN1CCNCC1)cn2C(C)C.
What is the InChIKey of 5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole?
The InChIKey is AXGURNPVOUSTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)21-13-16(6-9-20-10-7-19-8-11-20)17-12-15(3)4-5-18(17)21/h4-5,12-14,19H,6-11H2,1-3H3.
What are the key properties of 5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole?
5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole has a molecular weight of 285.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole is sourced from PubChem (CID 83949058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).