2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine

C15H24FN3O — CID 122182211

IUPAC2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)cc(N2CCN(C)CC2)c1
InChIInChI=1S/C15H24FN3O/c1-17(2)8-9-20-15-11-13(16)10-14(12-15)19-6-4-18(3)5-7-19/h10-12H,4-9H2,1-3H3
InChIKeyZMERABHZOGNDAQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.52
Rot. Bonds5

About 2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine

2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine (PubChem CID 122182211) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine
PubChem CID122182211
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)cc(N2CCN(C)CC2)c1
InChIInChI=1S/C15H24FN3O/c1-17(2)8-9-20-15-11-13(16)10-14(12-15)19-6-4-18(3)5-7-19/h10-12H,4-9H2,1-3H3
InChIKeyZMERABHZOGNDAQ-UHFFFAOYSA-N
XLogP1.52
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine (CID 122182211) is 2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1cc(F)cc(N2CCN(C)CC2)c1.
What is the InChIKey of 2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is ZMERABHZOGNDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-17(2)8-9-20-15-11-13(16)10-14(12-15)19-6-4-18(3)5-7-19/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine?
2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 281.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 122182211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).