2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid

C19H22FN3O4 — CID 72847162

IUPAC2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCN(c3ccc(F)cc3)CC2)c(OC)n1
InChIInChI=1S/C19H22FN3O4/c1-26-16-8-7-15(18(21-16)27-2)17(19(24)25)23-11-9-22(10-12-23)14-5-3-13(20)4-6-14/h3-8,17H,9-12H2,1-2H3,(H,24,25)
InChIKeyZKWUXJSZJFJSMF-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.19
Rot. Bonds6

About 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid

2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid (PubChem CID 72847162) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
PubChem CID72847162
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCN(c3ccc(F)cc3)CC2)c(OC)n1
InChIInChI=1S/C19H22FN3O4/c1-26-16-8-7-15(18(21-16)27-2)17(19(24)25)23-11-9-22(10-12-23)14-5-3-13(20)4-6-14/h3-8,17H,9-12H2,1-2H3,(H,24,25)
InChIKeyZKWUXJSZJFJSMF-UHFFFAOYSA-N
XLogP2.19
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid (CID 72847162) is 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid is COc1ccc(C(C(=O)O)N2CCN(c3ccc(F)cc3)CC2)c(OC)n1.
What is the InChIKey of 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
The InChIKey is ZKWUXJSZJFJSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-26-16-8-7-15(18(21-16)27-2)17(19(24)25)23-11-9-22(10-12-23)14-5-3-13(20)4-6-14/h3-8,17H,9-12H2,1-2H3,(H,24,25).
What are the key properties of 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid has a molecular weight of 375.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 72847162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).