1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine

C19H21F2N3O — CID 139775667

IUPAC1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine
SMILESFc1ccc(C(=NOCCN2CCNCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21F2N3O/c20-17-5-1-15(2-6-17)19(16-3-7-18(21)8-4-16)23-25-14-13-24-11-9-22-10-12-24/h1-8,22H,9-14H2
InChIKeyQEMNRGZLIHYGIG-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.64
Rot. Bonds6

About 1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine

1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine (PubChem CID 139775667) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine
PubChem CID139775667
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine
SMILESFc1ccc(C(=NOCCN2CCNCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21F2N3O/c20-17-5-1-15(2-6-17)19(16-3-7-18(21)8-4-16)23-25-14-13-24-11-9-22-10-12-24/h1-8,22H,9-14H2
InChIKeyQEMNRGZLIHYGIG-UHFFFAOYSA-N
XLogP2.64
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine?
The IUPAC name of 1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine (CID 139775667) is 1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine?
The canonical SMILES for 1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine is Fc1ccc(C(=NOCCN2CCNCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine?
The InChIKey is QEMNRGZLIHYGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-17-5-1-15(2-6-17)19(16-3-7-18(21)8-4-16)23-25-14-13-24-11-9-22-10-12-24/h1-8,22H,9-14H2.
What are the key properties of 1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine?
1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine has a molecular weight of 345.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine is sourced from PubChem (CID 139775667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).