N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine

C15H24FN3 — CID 84753615

IUPACN-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(F)c(N2CCN(C)CC2)c1
InChIInChI=1S/C15H24FN3/c1-3-6-17-12-13-4-5-14(16)15(11-13)19-9-7-18(2)8-10-19/h4-5,11,17H,3,6-10,12H2,1-2H3
InChIKeyZYFKOLUTSYGSOF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.08
Rot. Bonds5

About N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine

N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 84753615) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
PubChem CID84753615
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC NameN-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(F)c(N2CCN(C)CC2)c1
InChIInChI=1S/C15H24FN3/c1-3-6-17-12-13-4-5-14(16)15(11-13)19-9-7-18(2)8-10-19/h4-5,11,17H,3,6-10,12H2,1-2H3
InChIKeyZYFKOLUTSYGSOF-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 84753620
N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 84753782
N-[[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281323
N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 84753474
1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 84753629
[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 83642807
N-[[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 114847273
3-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methylamino]propanoic acid
CID 84753447
N-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluorophenyl]methyl]butan-1-amine
CID 84753457
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]-3-ethoxypropan-1-amine
CID 84753248
1-[4-[2-fluoro-5-[(3-hydroxypropylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 84747073
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine (CID 84753615) is N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(F)c(N2CCN(C)CC2)c1.
What is the InChIKey of N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is ZYFKOLUTSYGSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-3-6-17-12-13-4-5-14(16)15(11-13)19-9-7-18(2)8-10-19/h4-5,11,17H,3,6-10,12H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine?
N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 84753615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).