2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine

C15H24FN3 — CID 63605201

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
SMILESCCN1CCN(C(CN)c2cccc(F)c2)CC1C
InChIInChI=1S/C15H24FN3/c1-3-18-7-8-19(11-12(18)2)15(10-17)13-5-4-6-14(16)9-13/h4-6,9,12,15H,3,7-8,10-11,17H2,1-2H3
InChIKeyDTYZWRSVUPKUPA-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.85
Rot. Bonds4

About 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine

2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine (PubChem CID 63605201) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
PubChem CID63605201
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
SMILESCCN1CCN(C(CN)c2cccc(F)c2)CC1C
InChIInChI=1S/C15H24FN3/c1-3-18-7-8-19(11-12(18)2)15(10-17)13-5-4-6-14(16)9-13/h4-6,9,12,15H,3,7-8,10-11,17H2,1-2H3
InChIKeyDTYZWRSVUPKUPA-UHFFFAOYSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
2-(5-chloro-2-fluorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 114843181
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 63605596
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
2-(3-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174272
2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine
CID 83978033
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
2-(2,3-dichlorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63610122
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine
CID 63603808
2-(5-bromothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63603804

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine (CID 63605201) is 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine is CCN1CCN(C(CN)c2cccc(F)c2)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is DTYZWRSVUPKUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-3-18-7-8-19(11-12(18)2)15(10-17)13-5-4-6-14(16)9-13/h4-6,9,12,15H,3,7-8,10-11,17H2,1-2H3.
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine?
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 265.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 63605201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).