1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine

C23H30FN3O — CID 89427804

IUPAC1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine
SMILESFCCOc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1
InChIInChI=1S/C23H30FN3O/c24-11-17-28-22-5-3-4-20(18-22)19-7-9-21(10-8-19)26-13-15-27(16-14-26)23-6-1-2-12-25-23/h1-6,12,18-19,21H,7-11,13-17H2
InChIKeyZZPRBVGJWIXXMM-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.28
Rot. Bonds6

About 1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine

1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine (PubChem CID 89427804) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine
PubChem CID89427804
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine
SMILESFCCOc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1
InChIInChI=1S/C23H30FN3O/c24-11-17-28-22-5-3-4-20(18-22)19-7-9-21(10-8-19)26-13-15-27(16-14-26)23-6-1-2-12-25-23/h1-6,12,18-19,21H,7-11,13-17H2
InChIKeyZZPRBVGJWIXXMM-UHFFFAOYSA-N
XLogP4.28
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine (CID 89427804) is 1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine is FCCOc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1.
What is the InChIKey of 1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine?
The InChIKey is ZZPRBVGJWIXXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c24-11-17-28-22-5-3-4-20(18-22)19-7-9-21(10-8-19)26-13-15-27(16-14-26)23-6-1-2-12-25-23/h1-6,12,18-19,21H,7-11,13-17H2.
What are the key properties of 1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine?
1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine has a molecular weight of 383.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-fluoroethoxy)phenyl]cyclohexyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 89427804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).