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

C24H33FN2O2 — CID 78184573

IUPAC1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-(3-phenylpropyl)piperazine
SMILESCOc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCF
InChIInChI=1S/C24H33FN2O2/c1-28-24-20-22(9-10-23(24)29-19-12-25)11-14-27-17-15-26(16-18-27)13-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-10,20H,5,8,11-19H2,1H3
InChIKeyMVCJODPOPMQGIU-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.84
Rot. Bonds11

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

1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-(3-phenylpropyl)piperazine (PubChem CID 78184573) has the molecular formula C24H33FN2O2 and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-(3-phenylpropyl)piperazine
PubChem CID78184573
Molecular FormulaC24H33FN2O2
Molecular Weight400.54 g/mol
Exact Mass400.25
IUPAC Name1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-(3-phenylpropyl)piperazine
SMILESCOc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCF
InChIInChI=1S/C24H33FN2O2/c1-28-24-20-22(9-10-23(24)29-19-12-25)11-14-27-17-15-26(16-18-27)13-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-10,20H,5,8,11-19H2,1H3
InChIKeyMVCJODPOPMQGIU-UHFFFAOYSA-N
XLogP3.84
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.84
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-phenylpropyl)piperazine?
The IUPAC name of 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-(3-phenylpropyl)piperazine (CID 78184573) is 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-(3-phenylpropyl)piperazine is COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCF.
What is the InChIKey of 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-(3-phenylpropyl)piperazine?
The InChIKey is MVCJODPOPMQGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O2/c1-28-24-20-22(9-10-23(24)29-19-12-25)11-14-27-17-15-26(16-18-27)13-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-10,20H,5,8,11-19H2,1H3.
What are the key properties of 1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-(3-phenylpropyl)piperazine?
1-[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethyl]-4-(3-phenylpropyl)piperazine has a molecular weight of 400.54 g/mol, XLogP of 3.84, 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-phenylpropyl)piperazine is sourced from PubChem (CID 78184573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).