1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine

C24H32F2N2O2 — CID 57395641

IUPAC1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine
SMILESCOc1cc(CCN2CCN(CCCc3ccc(F)cc3)CC2)ccc1OCCF
InChIInChI=1S/C24H32F2N2O2/c1-29-24-19-21(6-9-23(24)30-18-11-25)10-13-28-16-14-27(15-17-28)12-2-3-20-4-7-22(26)8-5-20/h4-9,19H,2-3,10-18H2,1H3
InChIKeyJDEPOZXGNBBGMI-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.98
Rot. Bonds11

About 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine

1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine (PubChem CID 57395641) has the molecular formula C24H32F2N2O2 and a molecular weight of 418.53 g/mol. Its IUPAC name is 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine
PubChem CID57395641
Molecular FormulaC24H32F2N2O2
Molecular Weight418.53 g/mol
Exact Mass418.24
IUPAC Name1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine
SMILESCOc1cc(CCN2CCN(CCCc3ccc(F)cc3)CC2)ccc1OCCF
InChIInChI=1S/C24H32F2N2O2/c1-29-24-19-21(6-9-23(24)30-18-11-25)10-13-28-16-14-27(15-17-28)12-2-3-20-4-7-22(26)8-5-20/h4-9,19H,2-3,10-18H2,1H3
InChIKeyJDEPOZXGNBBGMI-UHFFFAOYSA-N
XLogP3.98
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine?
The IUPAC name of 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine (CID 57395641) is 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine.
What is the SMILES notation for 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine?
The canonical SMILES for 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine is COc1cc(CCN2CCN(CCCc3ccc(F)cc3)CC2)ccc1OCCF.
What is the InChIKey of 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine?
The InChIKey is JDEPOZXGNBBGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N2O2/c1-29-24-19-21(6-9-23(24)30-18-11-25)10-13-28-16-14-27(15-17-28)12-2-3-20-4-7-22(26)8-5-20/h4-9,19H,2-3,10-18H2,1H3.
What are the key properties of 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine?
1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine has a molecular weight of 418.53 g/mol, XLogP of 3.98, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine is sourced from PubChem (CID 57395641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).