1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

C20H25FN2O3 — CID 1376934

IUPAC1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(OC)cc1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2O3/c1-24-18-13-20(26-3)19(25-2)12-15(18)14-22-8-10-23(11-9-22)17-6-4-16(21)5-7-17/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyVCPKPKWIFPNAPY-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.17
Rot. Bonds6

About 1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 1376934) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID1376934
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(OC)cc1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2O3/c1-24-18-13-20(26-3)19(25-2)12-15(18)14-22-8-10-23(11-9-22)17-6-4-16(21)5-7-17/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyVCPKPKWIFPNAPY-UHFFFAOYSA-N
XLogP3.17
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (CID 1376934) is 1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(OC)c(OC)cc1CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is VCPKPKWIFPNAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-24-18-13-20(26-3)19(25-2)12-15(18)14-22-8-10-23(11-9-22)17-6-4-16(21)5-7-17/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 360.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1376934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).