ethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate

C23H28F2N2O3 — CID 19370381

IUPACethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCOC(C)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28F2N2O3/c1-3-29-22(28)27-14-12-26(13-15-27)16-17-30-23(2,18-4-8-20(24)9-5-18)19-6-10-21(25)11-7-19/h4-11H,3,12-17H2,1-2H3
InChIKeyMOHUTEWPTIMBAP-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.02
Rot. Bonds7

About ethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate

ethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate (PubChem CID 19370381) has the molecular formula C23H28F2N2O3 and a molecular weight of 418.48 g/mol. Its IUPAC name is ethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate
PubChem CID19370381
Molecular FormulaC23H28F2N2O3
Molecular Weight418.48 g/mol
Exact Mass418.21
IUPAC Nameethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCOC(C)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28F2N2O3/c1-3-29-22(28)27-14-12-26(13-15-27)16-17-30-23(2,18-4-8-20(24)9-5-18)19-6-10-21(25)11-7-19/h4-11H,3,12-17H2,1-2H3
InChIKeyMOHUTEWPTIMBAP-UHFFFAOYSA-N
XLogP4.02
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate (CID 19370381) is ethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCOC(C)(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate?
The InChIKey is MOHUTEWPTIMBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O3/c1-3-29-22(28)27-14-12-26(13-15-27)16-17-30-23(2,18-4-8-20(24)9-5-18)19-6-10-21(25)11-7-19/h4-11H,3,12-17H2,1-2H3.
What are the key properties of ethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate?
ethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate has a molecular weight of 418.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 19370381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).