3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline

C15H24FN3 — CID 62561355

IUPAC3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
SMILESCC(C)N1CCN(CCNc2cccc(F)c2)CC1
InChIInChI=1S/C15H24FN3/c1-13(2)19-10-8-18(9-11-19)7-6-17-15-5-3-4-14(16)12-15/h3-5,12-13,17H,6-11H2,1-2H3
InChIKeyCZIANAOHMRFRPL-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.26
Rot. Bonds5

About 3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline

3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline (PubChem CID 62561355) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
PubChem CID62561355
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
SMILESCC(C)N1CCN(CCNc2cccc(F)c2)CC1
InChIInChI=1S/C15H24FN3/c1-13(2)19-10-8-18(9-11-19)7-6-17-15-5-3-4-14(16)12-15/h3-5,12-13,17H,6-11H2,1-2H3
InChIKeyCZIANAOHMRFRPL-UHFFFAOYSA-N
XLogP2.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561539
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline
CID 19827128
N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
CID 62575706
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 63503645
N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 62556361
4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62559865
3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 55249992
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62773685
1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 62645529
2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 55090288
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline
CID 82889276
3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82888949

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of 3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline (CID 62561355) is 3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline is CC(C)N1CCN(CCNc2cccc(F)c2)CC1.
What is the InChIKey of 3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The InChIKey is CZIANAOHMRFRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-13(2)19-10-8-18(9-11-19)7-6-17-15-5-3-4-14(16)12-15/h3-5,12-13,17H,6-11H2,1-2H3.
What are the key properties of 3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline has a molecular weight of 265.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 62561355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).