1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole

C23H28FN3 — CID 170868396

IUPAC1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCc1c(CCCN2CCNCC2)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C23H28FN3/c1-18-20(9-6-14-26-15-12-25-13-16-26)21-8-3-5-11-23(21)27(18)17-19-7-2-4-10-22(19)24/h2-5,7-8,10-11,25H,6,9,12-17H2,1H3
InChIKeyNUFAPJWXIUVNKU-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.97
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole

1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole (PubChem CID 170868396) has the molecular formula C23H28FN3 and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole
PubChem CID170868396
Molecular FormulaC23H28FN3
Molecular Weight365.50 g/mol
Exact Mass365.23
IUPAC Name1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCc1c(CCCN2CCNCC2)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C23H28FN3/c1-18-20(9-6-14-26-15-12-25-13-16-26)21-8-3-5-11-23(21)27(18)17-19-7-2-4-10-22(19)24/h2-5,7-8,10-11,25H,6,9,12-17H2,1H3
InChIKeyNUFAPJWXIUVNKU-UHFFFAOYSA-N
XLogP3.97
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine
CID 170878721
1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 95426562
7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 95433584
7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 95432844
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine
CID 115230606
2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 170868356
1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole
CID 170868364
1-[(2-fluorophenyl)methyl]-1,4-diazepane;hydrate;dihydrochloride
CID 47000648
1-[3-(2-chloro-6-fluorophenyl)propyl]-1,4-diazepane
CID 95474151
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole (CID 170868396) is 1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole is Cc1c(CCCN2CCNCC2)c2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole?
The InChIKey is NUFAPJWXIUVNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3/c1-18-20(9-6-14-26-15-12-25-13-16-26)21-8-3-5-11-23(21)27(18)17-19-7-2-4-10-22(19)24/h2-5,7-8,10-11,25H,6,9,12-17H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole?
1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole has a molecular weight of 365.50 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole is sourced from PubChem (CID 170868396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).