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

C22H28F2N2O — CID 70530133

IUPAC1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine
SMILESCOCC1CNCCN1C(CCCc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H28F2N2O/c1-27-16-21-15-25-13-14-26(21)22(18-7-11-20(24)12-8-18)4-2-3-17-5-9-19(23)10-6-17/h5-12,21-22,25H,2-4,13-16H2,1H3
InChIKeyJXCMIUVDFCDDHP-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.95
Rot. Bonds8

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

1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine (PubChem CID 70530133) has the molecular formula C22H28F2N2O and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine.

Molecular Properties

Compound Name1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine
PubChem CID70530133
Molecular FormulaC22H28F2N2O
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine
SMILESCOCC1CNCCN1C(CCCc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H28F2N2O/c1-27-16-21-15-25-13-14-26(21)22(18-7-11-20(24)12-8-18)4-2-3-17-5-9-19(23)10-6-17/h5-12,21-22,25H,2-4,13-16H2,1H3
InChIKeyJXCMIUVDFCDDHP-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine?
The IUPAC name of 1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine (CID 70530133) is 1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine.
What is the SMILES notation for 1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine?
The canonical SMILES for 1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine is COCC1CNCCN1C(CCCc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine?
The InChIKey is JXCMIUVDFCDDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O/c1-27-16-21-15-25-13-14-26(21)22(18-7-11-20(24)12-8-18)4-2-3-17-5-9-19(23)10-6-17/h5-12,21-22,25H,2-4,13-16H2,1H3.
What are the key properties of 1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine?
1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine has a molecular weight of 374.48 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-bis(4-fluorophenyl)butyl]-2-(methoxymethyl)piperazine is sourced from PubChem (CID 70530133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).