N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine

C15H24FN3 — CID 115255765

IUPACN-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
SMILESCC(CNCCc1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C15H24FN3/c1-13(19-9-7-17-8-10-19)12-18-6-5-14-3-2-4-15(16)11-14/h2-4,11,13,17-18H,5-10,12H2,1H3
InChIKeyVUWKWGDODITANG-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.25
Rot. Bonds6

About N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine

N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine (PubChem CID 115255765) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
PubChem CID115255765
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
SMILESCC(CNCCc1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C15H24FN3/c1-13(19-9-7-17-8-10-19)12-18-6-5-14-3-2-4-15(16)11-14/h2-4,11,13,17-18H,5-10,12H2,1H3
InChIKeyVUWKWGDODITANG-UHFFFAOYSA-N
XLogP1.25
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43566424
N-[2-(4-methylphenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255755
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 115255769
N-[2-(3-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202786
N-[2-(5-bromothiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255758
N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255779
N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255770
2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline
CID 115255614
N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83157209
1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine
CID 114832354
2-(1,4-diazepan-1-yl)-N-[2-(3-fluorophenyl)ethyl]-2-oxoacetamide
CID 43566464
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine (CID 115255765) is N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine is CC(CNCCc1cccc(F)c1)N1CCNCC1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine?
The InChIKey is VUWKWGDODITANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-13(19-9-7-17-8-10-19)12-18-6-5-14-3-2-4-15(16)11-14/h2-4,11,13,17-18H,5-10,12H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine?
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115255765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).