1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole

C16H23N3 — CID 116996220

IUPAC1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole
SMILESCC(CN1CCNCC1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C16H23N3/c1-13(12-19-9-6-17-7-10-19)14-3-4-16-15(11-14)5-8-18(16)2/h3-5,8,11,13,17H,6-7,9-10,12H2,1-2H3
InChIKeyLFKDKNKYHIOSGA-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.19
Rot. Bonds3

About 1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole

1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole (PubChem CID 116996220) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole.

Molecular Properties

Compound Name1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole
PubChem CID116996220
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole
SMILESCC(CN1CCNCC1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C16H23N3/c1-13(12-19-9-6-17-7-10-19)14-3-4-16-15(11-14)5-8-18(16)2/h3-5,8,11,13,17H,6-7,9-10,12H2,1-2H3
InChIKeyLFKDKNKYHIOSGA-UHFFFAOYSA-N
XLogP2.19
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole?
The IUPAC name of 1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole (CID 116996220) is 1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole.
What is the SMILES notation for 1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole?
The canonical SMILES for 1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole is CC(CN1CCNCC1)c1ccc2c(ccn2C)c1.
What is the InChIKey of 1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole?
The InChIKey is LFKDKNKYHIOSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(12-19-9-6-17-7-10-19)14-3-4-16-15(11-14)5-8-18(16)2/h3-5,8,11,13,17H,6-7,9-10,12H2,1-2H3.
What are the key properties of 1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole?
1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole has a molecular weight of 257.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole is sourced from PubChem (CID 116996220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).