2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine

C14H22FN3O — CID 122182208

IUPAC2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)cc(N2CCNCC2)c1
InChIInChI=1S/C14H22FN3O/c1-17(2)7-8-19-14-10-12(15)9-13(11-14)18-5-3-16-4-6-18/h9-11,16H,3-8H2,1-2H3
InChIKeyQHWUFIBUAAOLAK-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.18
Rot. Bonds5

About 2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine

2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine (PubChem CID 122182208) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine
PubChem CID122182208
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)cc(N2CCNCC2)c1
InChIInChI=1S/C14H22FN3O/c1-17(2)7-8-19-14-10-12(15)9-13(11-14)18-5-3-16-4-6-18/h9-11,16H,3-8H2,1-2H3
InChIKeyQHWUFIBUAAOLAK-UHFFFAOYSA-N
XLogP1.18
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine (CID 122182208) is 2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine is CN(C)CCOc1cc(F)cc(N2CCNCC2)c1.
What is the InChIKey of 2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine?
The InChIKey is QHWUFIBUAAOLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-17(2)7-8-19-14-10-12(15)9-13(11-14)18-5-3-16-4-6-18/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine?
2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine has a molecular weight of 267.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 122182208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).