6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole

C15H23N3 — CID 115105431

IUPAC6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1CCCN1CCNCC1)NCC2
InChIInChI=1S/C15H23N3/c1(9-18-10-7-16-8-11-18)2-13-3-4-14-5-6-17-15(14)12-13/h3-4,12,16-17H,1-2,5-11H2
InChIKeyBJRQINWENXGBMP-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.49
Rot. Bonds4

About 6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole

6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole (PubChem CID 115105431) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
PubChem CID115105431
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1CCCN1CCNCC1)NCC2
InChIInChI=1S/C15H23N3/c1(9-18-10-7-16-8-11-18)2-13-3-4-14-5-6-17-15(14)12-13/h3-4,12,16-17H,1-2,5-11H2
InChIKeyBJRQINWENXGBMP-UHFFFAOYSA-N
XLogP1.49
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole
CID 115105433
3-(2,3-dihydro-1H-indol-6-yl)propan-1-amine
CID 115105426
7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82263603
1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole
CID 116997078
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104784
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
1-[3-(3-bromo-4-methylphenyl)propyl]piperazine
CID 82308190
3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine
CID 115105435
2-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylethanamine
CID 115105305
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 82255773

Frequently Asked Questions

What is the IUPAC name of 6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole (CID 115105431) is 6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole is c1cc2c(cc1CCCN1CCNCC1)NCC2.
What is the InChIKey of 6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole?
The InChIKey is BJRQINWENXGBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1(9-18-10-7-16-8-11-18)2-13-3-4-14-5-6-17-15(14)12-13/h3-4,12,16-17H,1-2,5-11H2.
What are the key properties of 6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole?
6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole has a molecular weight of 245.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115105431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).