1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine

C22H28F2N2O — CID 21295631

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine
SMILESCOCC1CNCCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H28F2N2O/c1-27-16-21-15-25-12-14-26(21)13-2-3-22(17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18/h4-11,21-22,25H,2-3,12-16H2,1H3
InChIKeyIMEJYFCEYZLALP-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.80
Rot. Bonds8

About 1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine

1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine (PubChem CID 21295631) has the molecular formula C22H28F2N2O and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine
PubChem CID21295631
Molecular FormulaC22H28F2N2O
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine
SMILESCOCC1CNCCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H28F2N2O/c1-27-16-21-15-25-12-14-26(21)13-2-3-22(17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18/h4-11,21-22,25H,2-3,12-16H2,1H3
InChIKeyIMEJYFCEYZLALP-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine (CID 21295631) is 1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine is COCC1CNCCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine?
The InChIKey is IMEJYFCEYZLALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O/c1-27-16-21-15-25-12-14-26(21)13-2-3-22(17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18/h4-11,21-22,25H,2-3,12-16H2,1H3.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine?
1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine has a molecular weight of 374.48 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine is sourced from PubChem (CID 21295631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).