1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole

C23H28FN3 — CID 170864377

IUPAC1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCN1CCN(CCCc2cn(Cc3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C23H28FN3/c1-25-13-15-26(16-14-25)12-4-5-20-18-27(23-7-3-2-6-22(20)23)17-19-8-10-21(24)11-9-19/h2-3,6-11,18H,4-5,12-17H2,1H3
InChIKeyNKIGWDJDIMKOGN-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.01
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole

1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole (PubChem CID 170864377) has the molecular formula C23H28FN3 and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
PubChem CID170864377
Molecular FormulaC23H28FN3
Molecular Weight365.50 g/mol
Exact Mass365.23
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCN1CCN(CCCc2cn(Cc3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C23H28FN3/c1-25-13-15-26(16-14-25)12-4-5-20-18-27(23-7-3-2-6-22(20)23)17-19-8-10-21(24)11-9-19/h2-3,6-11,18H,4-5,12-17H2,1H3
InChIKeyNKIGWDJDIMKOGN-UHFFFAOYSA-N
XLogP4.01
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole
CID 170868364
1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864406
(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823717
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
CID 22522977
1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole
CID 11407673
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
CID 22522951

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole (CID 170864377) is 1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole is CN1CCN(CCCc2cn(Cc3ccc(F)cc3)c3ccccc23)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The InChIKey is NKIGWDJDIMKOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3/c1-25-13-15-26(16-14-25)12-4-5-20-18-27(23-7-3-2-6-22(20)23)17-19-8-10-21(24)11-9-19/h2-3,6-11,18H,4-5,12-17H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole has a molecular weight of 365.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole is sourced from PubChem (CID 170864377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).