1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine

C20H25FN2O2 — CID 2184085

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(Cc3ccc(F)cc3)CC2)c1OC
InChIInChI=1S/C20H25FN2O2/c1-24-19-5-3-4-17(20(19)25-2)15-23-12-10-22(11-13-23)14-16-6-8-18(21)9-7-16/h3-9H,10-15H2,1-2H3
InChIKeyYNAUIAUCWZDHHV-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.16
Rot. Bonds6

About 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine

1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 2184085) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID2184085
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(Cc3ccc(F)cc3)CC2)c1OC
InChIInChI=1S/C20H25FN2O2/c1-24-19-5-3-4-17(20(19)25-2)15-23-12-10-22(11-13-23)14-16-6-8-18(21)9-7-16/h3-9H,10-15H2,1-2H3
InChIKeyYNAUIAUCWZDHHV-UHFFFAOYSA-N
XLogP3.16
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine (CID 2184085) is 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine is COc1cccc(CN2CCN(Cc3ccc(F)cc3)CC2)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is YNAUIAUCWZDHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-24-19-5-3-4-17(20(19)25-2)15-23-12-10-22(11-13-23)14-16-6-8-18(21)9-7-16/h3-9H,10-15H2,1-2H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 344.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 2184085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).