1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine

C15H24FN3 — CID 106530994

IUPAC1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCCN1CCN(c2cc(F)cc(CNC)c2)CC1C
InChIInChI=1S/C15H24FN3/c1-4-18-5-6-19(11-12(18)2)15-8-13(10-17-3)7-14(16)9-15/h7-9,12,17H,4-6,10-11H2,1-3H3
InChIKeyFZYSZKMZLBJLKQ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.08
Rot. Bonds4

About 1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine

1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 106530994) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
PubChem CID106530994
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCCN1CCN(c2cc(F)cc(CNC)c2)CC1C
InChIInChI=1S/C15H24FN3/c1-4-18-5-6-19(11-12(18)2)15-8-13(10-17-3)7-14(16)9-15/h7-9,12,17H,4-6,10-11H2,1-3H3
InChIKeyFZYSZKMZLBJLKQ-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluoroaniline
CID 63609800
1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 106530804
1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 106530754
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 106530805
2-(4-ethyl-3-methylpiperazin-1-yl)-4,6-difluoroaniline
CID 115507002
1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106531107
1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635594
2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluoroaniline
CID 63610820
1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide
CID 106530749
N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 63633766
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 63634984
1-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106530973

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine (CID 106530994) is 1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine is CCN1CCN(c2cc(F)cc(CNC)c2)CC1C.
What is the InChIKey of 1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is FZYSZKMZLBJLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-4-18-5-6-19(11-12(18)2)15-8-13(10-17-3)7-14(16)9-15/h7-9,12,17H,4-6,10-11H2,1-3H3.
What are the key properties of 1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 106530994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).