1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine

C23H31F2N3S — CID 167847372

IUPAC1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
SMILESCC(CN1CCN(C)CC1)NC(CCSc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H31F2N3S/c1-18(17-28-14-12-27(2)13-15-28)26-23(19-3-5-20(24)6-4-19)11-16-29-22-9-7-21(25)8-10-22/h3-10,18,23,26H,11-17H2,1-2H3
InChIKeyUUGGAEYASFAHCS-UHFFFAOYSA-N
MW419.59 g/mol
LogP4.41
Rot. Bonds9

About 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine

1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine (PubChem CID 167847372) has the molecular formula C23H31F2N3S and a molecular weight of 419.59 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
PubChem CID167847372
Molecular FormulaC23H31F2N3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC Name1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
SMILESCC(CN1CCN(C)CC1)NC(CCSc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H31F2N3S/c1-18(17-28-14-12-27(2)13-15-28)26-23(19-3-5-20(24)6-4-19)11-16-29-22-9-7-21(25)8-10-22/h3-10,18,23,26H,11-17H2,1-2H3
InChIKeyUUGGAEYASFAHCS-UHFFFAOYSA-N
XLogP4.41
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
CID 75428016
(1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
CID 97322268
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
CID 4742801
4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530804
1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978178
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
(1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine
CID 97322165
1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine
CID 62545645
(1S)-N-[(2,5-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 95265427
1-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 95759922
[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl] 4-fluorobenzoate
CID 755785
3-(4-methylpiperazin-1-yl)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43106395

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine (CID 167847372) is 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine is CC(CN1CCN(C)CC1)NC(CCSc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine?
The InChIKey is UUGGAEYASFAHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2N3S/c1-18(17-28-14-12-27(2)13-15-28)26-23(19-3-5-20(24)6-4-19)11-16-29-22-9-7-21(25)8-10-22/h3-10,18,23,26H,11-17H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine?
1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine has a molecular weight of 419.59 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine is sourced from PubChem (CID 167847372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).