N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine

C17H28FN3 — CID 84753155

IUPACN-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine
SMILESCCCCN(CC)Cc1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C17H28FN3/c1-3-5-10-20(4-2)14-15-6-7-16(18)17(13-15)21-11-8-19-9-12-21/h6-7,13,19H,3-5,8-12,14H2,1-2H3
InChIKeyGOBAEFACRFGFQM-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.86
Rot. Bonds7

About N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine

N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine (PubChem CID 84753155) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine
PubChem CID84753155
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine
SMILESCCCCN(CC)Cc1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C17H28FN3/c1-3-5-10-20(4-2)14-15-6-7-16(18)17(13-15)21-11-8-19-9-12-21/h6-7,13,19H,3-5,8-12,14H2,1-2H3
InChIKeyGOBAEFACRFGFQM-UHFFFAOYSA-N
XLogP2.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxy-4-piperazin-1-ylphenyl)methyl]-N-ethylbutan-1-amine
CID 84754145
1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine
CID 84753167
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine
CID 114011928
1-[2-fluoro-5-(isocyanomethyl)phenyl]piperazine
CID 20785284
N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine
CID 84754111
1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine
CID 84753153
4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol
CID 82975285
N'-[(3-bromo-4-fluorophenyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102996193
N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine
CID 84753916
methyl 4-[[butyl(ethyl)amino]methyl]-2-fluorobenzoate
CID 103749211
N-[(3-bromo-4-fluorophenyl)methyl]-N-(2-chloroethyl)butan-1-amine
CID 63389228
3-[(3,4-dichlorophenyl)methyl-ethylamino]-1-piperazin-1-ylpropan-1-one
CID 120981153

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine?
The IUPAC name of N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine (CID 84753155) is N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine is CCCCN(CC)Cc1ccc(F)c(N2CCNCC2)c1.
What is the InChIKey of N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine?
The InChIKey is GOBAEFACRFGFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-3-5-10-20(4-2)14-15-6-7-16(18)17(13-15)21-11-8-19-9-12-21/h6-7,13,19H,3-5,8-12,14H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine?
N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 84753155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).