3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine

C22H28F2N2O — CID 19844654

IUPAC3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine
SMILESCCCN1CCNC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C22H28F2N2O/c1-2-13-26-14-12-25-21(16-26)11-15-27-22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,21-22,25H,2,11-16H2,1H3
InChIKeyPYIRRADYQKNXAT-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.14
Rot. Bonds8

About 3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine

3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine (PubChem CID 19844654) has the molecular formula C22H28F2N2O and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine.

Molecular Properties

Compound Name3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine
PubChem CID19844654
Molecular FormulaC22H28F2N2O
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine
SMILESCCCN1CCNC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C22H28F2N2O/c1-2-13-26-14-12-25-21(16-26)11-15-27-22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,21-22,25H,2,11-16H2,1H3
InChIKeyPYIRRADYQKNXAT-UHFFFAOYSA-N
XLogP4.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine?
The IUPAC name of 3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine (CID 19844654) is 3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine.
What is the SMILES notation for 3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine?
The canonical SMILES for 3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine is CCCN1CCNC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C1.
What is the InChIKey of 3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine?
The InChIKey is PYIRRADYQKNXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O/c1-2-13-26-14-12-25-21(16-26)11-15-27-22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,21-22,25H,2,11-16H2,1H3.
What are the key properties of 3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine?
3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine has a molecular weight of 374.48 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-propylpiperazine is sourced from PubChem (CID 19844654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).