(2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine

C21H26F2N2O — CID 10498740

IUPAC(2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine
SMILESC[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1
InChIInChI=1S/C21H26F2N2O/c1-15-14-25(16(2)13-24-15)11-12-26-21(17-3-7-19(22)8-4-17)18-5-9-20(23)10-6-18/h3-10,15-16,21,24H,11-14H2,1-2H3/t15-,16+/m1/s1
InChIKeyANYGZQHMXQTJQV-CVEARBPZSA-N
MW360.45 g/mol
LogP3.75
Rot. Bonds6

About (2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine

(2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine (PubChem CID 10498740) has the molecular formula C21H26F2N2O and a molecular weight of 360.45 g/mol. Its IUPAC name is (2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name(2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine
PubChem CID10498740
Molecular FormulaC21H26F2N2O
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine
SMILESC[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1
InChIInChI=1S/C21H26F2N2O/c1-15-14-25(16(2)13-24-15)11-12-26-21(17-3-7-19(22)8-4-17)18-5-9-20(23)10-6-18/h3-10,15-16,21,24H,11-14H2,1-2H3/t15-,16+/m1/s1
InChIKeyANYGZQHMXQTJQV-CVEARBPZSA-N
XLogP3.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine?
The IUPAC name of (2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine (CID 10498740) is (2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine.
What is the SMILES notation for (2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine?
The canonical SMILES for (2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine is C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1.
What is the InChIKey of (2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine?
The InChIKey is ANYGZQHMXQTJQV-CVEARBPZSA-N. The full InChI is InChI=1S/C21H26F2N2O/c1-15-14-25(16(2)13-24-15)11-12-26-21(17-3-7-19(22)8-4-17)18-5-9-20(23)10-6-18/h3-10,15-16,21,24H,11-14H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of (2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine?
(2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine has a molecular weight of 360.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 10498740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).