1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole

C16H25N3 — CID 116997078

IUPAC1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole
SMILESCN1CCc2cc(CCCN3CCNCC3)ccc21
InChIInChI=1S/C16H25N3/c1-18-10-6-15-13-14(4-5-16(15)18)3-2-9-19-11-7-17-8-12-19/h4-5,13,17H,2-3,6-12H2,1H3
InChIKeyILOPCDLBWPVHEN-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.52
Rot. Bonds4

About 1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole

1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole (PubChem CID 116997078) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole
PubChem CID116997078
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole
SMILESCN1CCc2cc(CCCN3CCNCC3)ccc21
InChIInChI=1S/C16H25N3/c1-18-10-6-15-13-14(4-5-16(15)18)3-2-9-19-11-7-17-8-12-19/h4-5,13,17H,2-3,6-12H2,1H3
InChIKeyILOPCDLBWPVHEN-UHFFFAOYSA-N
XLogP1.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
CID 115105431
1-[3-(3-bromo-4-methylphenyl)propyl]piperazine
CID 82308190
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline
CID 62095616
2-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-2-amine
CID 64867066
4-[3-(1-ethyl-2,3-dihydroindol-5-yl)propyl]morpholine
CID 170870656
1-[2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]cyclopropan-1-amine
CID 105470358
7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104784
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol
CID 82074067

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole?
The IUPAC name of 1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole (CID 116997078) is 1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole.
What is the SMILES notation for 1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole?
The canonical SMILES for 1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole is CN1CCc2cc(CCCN3CCNCC3)ccc21.
What is the InChIKey of 1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole?
The InChIKey is ILOPCDLBWPVHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-10-6-15-13-14(4-5-16(15)18)3-2-9-19-11-7-17-8-12-19/h4-5,13,17H,2-3,6-12H2,1H3.
What are the key properties of 1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole?
1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole has a molecular weight of 259.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole is sourced from PubChem (CID 116997078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).