6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole

C16H25N3 — CID 115105433

IUPAC6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole
SMILESCN1CCN(CCCc2ccc3c(c2)NCC3)CC1
InChIInChI=1S/C16H25N3/c1-18-9-11-19(12-10-18)8-2-3-14-4-5-15-6-7-17-16(15)13-14/h4-5,13,17H,2-3,6-12H2,1H3
InChIKeyTWYJPIUWAMPMED-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.83
Rot. Bonds4

About 6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole

6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole (PubChem CID 115105433) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole
PubChem CID115105433
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole
SMILESCN1CCN(CCCc2ccc3c(c2)NCC3)CC1
InChIInChI=1S/C16H25N3/c1-18-9-11-19(12-10-18)8-2-3-14-4-5-15-6-7-17-16(15)13-14/h4-5,13,17H,2-3,6-12H2,1H3
InChIKeyTWYJPIUWAMPMED-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
CID 115105431
3-(2,3-dihydro-1H-indol-6-yl)propan-1-amine
CID 115105426
7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
2-(2,3-dihydro-1H-indol-6-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 115105325
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
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 82255773
7-octyl-1,2,3,4-tetrahydroquinoline
CID 106778470
1-[3-(3-iodophenyl)propyl]-4-methylpiperazine
CID 170862396
7-[3-(4-methylpiperazin-1-yl)propyl]quinoline
CID 170863487
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole?
The IUPAC name of 6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole (CID 115105433) is 6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole is CN1CCN(CCCc2ccc3c(c2)NCC3)CC1.
What is the InChIKey of 6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole?
The InChIKey is TWYJPIUWAMPMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-9-11-19(12-10-18)8-2-3-14-4-5-15-6-7-17-16(15)13-14/h4-5,13,17H,2-3,6-12H2,1H3.
What are the key properties of 6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole?
6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole has a molecular weight of 259.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115105433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).