1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole

C22H25F2N3 — CID 170868364

IUPAC1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole
SMILESFc1cc(F)cc(Cn2cc(CCCN3CCNCC3)c3ccccc32)c1
InChIInChI=1S/C22H25F2N3/c23-19-12-17(13-20(24)14-19)15-27-16-18(21-5-1-2-6-22(21)27)4-3-9-26-10-7-25-8-11-26/h1-2,5-6,12-14,16,25H,3-4,7-11,15H2
InChIKeyHXLXINHLAZORAI-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.81
Rot. Bonds6

About 1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole

1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole (PubChem CID 170868364) has the molecular formula C22H25F2N3 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole
PubChem CID170868364
Molecular FormulaC22H25F2N3
Molecular Weight369.46 g/mol
Exact Mass369.20
IUPAC Name1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole
SMILESFc1cc(F)cc(Cn2cc(CCCN3CCNCC3)c3ccccc32)c1
InChIInChI=1S/C22H25F2N3/c23-19-12-17(13-20(24)14-19)15-27-16-18(21-5-1-2-6-22(21)27)4-3-9-26-10-7-25-8-11-26/h1-2,5-6,12-14,16,25H,3-4,7-11,15H2
InChIKeyHXLXINHLAZORAI-UHFFFAOYSA-N
XLogP3.81
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864377
1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864392
3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 170864386
2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
CID 83948925
7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 95432844
1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
CID 83949003
2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol
CID 83947668
1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 170868396
1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864406
1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 95426562
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487
1-ethyl-3-(3-piperazin-1-ylpropyl)indole-7-carboxylic acid
CID 83947745

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole (CID 170868364) is 1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole is Fc1cc(F)cc(Cn2cc(CCCN3CCNCC3)c3ccccc32)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole?
The InChIKey is HXLXINHLAZORAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3/c23-19-12-17(13-20(24)14-19)15-27-16-18(21-5-1-2-6-22(21)27)4-3-9-26-10-7-25-8-11-26/h1-2,5-6,12-14,16,25H,3-4,7-11,15H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole?
1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole has a molecular weight of 369.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole is sourced from PubChem (CID 170868364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).