4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline

C15H24FN3 — CID 115240347

IUPAC4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline
SMILESCN(CCCCN1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C15H24FN3/c1-18(15-6-4-14(16)5-7-15)10-2-3-11-19-12-8-17-9-13-19/h4-7,17H,2-3,8-13H2,1H3
InChIKeyDGOGXJCCUKPPES-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.95
Rot. Bonds6

About 4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline

4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline (PubChem CID 115240347) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline
PubChem CID115240347
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline
SMILESCN(CCCCN1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C15H24FN3/c1-18(15-6-4-14(16)5-7-15)10-2-3-11-19-12-8-17-9-13-19/h4-7,17H,2-3,8-13H2,1H3
InChIKeyDGOGXJCCUKPPES-UHFFFAOYSA-N
XLogP1.95
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.95
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-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
CID 115230518
N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine
CID 115240359
4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119394671
3-fluoro-4-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)aniline
CID 115230323
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
N-butyl-4-fluoro-N-methylaniline
CID 70573878
N-ethyl-N-(4-piperazin-1-ylbutyl)aniline
CID 28808292
1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 63267366
4-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarbothioamide
CID 62969664
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-2-amine
CID 115230516
N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide
CID 29008728
N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine
CID 115240363

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline?
The IUPAC name of 4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline (CID 115240347) is 4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline is CN(CCCCN1CCNCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline?
The InChIKey is DGOGXJCCUKPPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-18(15-6-4-14(16)5-7-15)10-2-3-11-19-12-8-17-9-13-19/h4-7,17H,2-3,8-13H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline?
4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline has a molecular weight of 265.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline is sourced from PubChem (CID 115240347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).