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

C14H21F2N3O — CID 122182209

IUPAC2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(N2CCNCC2)cc(F)c1F
InChIInChI=1S/C14H21F2N3O/c1-18(2)7-8-20-13-10-11(9-12(15)14(13)16)19-5-3-17-4-6-19/h9-10,17H,3-8H2,1-2H3
InChIKeyKPCFZMNSTDTLEQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.31
Rot. Bonds5

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

2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine (PubChem CID 122182209) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine
PubChem CID122182209
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(N2CCNCC2)cc(F)c1F
InChIInChI=1S/C14H21F2N3O/c1-18(2)7-8-20-13-10-11(9-12(15)14(13)16)19-5-3-17-4-6-19/h9-10,17H,3-8H2,1-2H3
InChIKeyKPCFZMNSTDTLEQ-UHFFFAOYSA-N
XLogP1.31
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine (CID 122182209) is 2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine is CN(C)CCOc1cc(N2CCNCC2)cc(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine?
The InChIKey is KPCFZMNSTDTLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-18(2)7-8-20-13-10-11(9-12(15)14(13)16)19-5-3-17-4-6-19/h9-10,17H,3-8H2,1-2H3.
What are the key properties of 2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine?
2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine has a molecular weight of 285.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 122182209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).