1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine

C15H24FN3 — CID 107519754

IUPAC1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(CC(N)c2cccc(F)c2)CC1
InChIInChI=1S/C15H24FN3/c1-12(2)19-8-6-18(7-9-19)11-15(17)13-4-3-5-14(16)10-13/h3-5,10,12,15H,6-9,11,17H2,1-2H3
InChIKeyZCOXJUHBKCKBJS-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.85
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine

1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (PubChem CID 107519754) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
PubChem CID107519754
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(CC(N)c2cccc(F)c2)CC1
InChIInChI=1S/C15H24FN3/c1-12(2)19-8-6-18(7-9-19)11-15(17)13-4-3-5-14(16)10-13/h3-5,10,12,15H,6-9,11,17H2,1-2H3
InChIKeyZCOXJUHBKCKBJS-UHFFFAOYSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine
CID 62774063
1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 107521219
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)ethanamine
CID 107520322
1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 62645529
2-(4-tert-butylazepan-1-yl)-1-(3-fluorophenyl)ethanamine
CID 107521429
1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine
CID 162361422
4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one
CID 18069544
2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 113279389
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561355
2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
CID 110900456
1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 107521089

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (CID 107519754) is 1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine is CC(C)N1CCN(CC(N)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is ZCOXJUHBKCKBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-12(2)19-8-6-18(7-9-19)11-15(17)13-4-3-5-14(16)10-13/h3-5,10,12,15H,6-9,11,17H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 265.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 107519754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).