methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate

C19H21FN2O2 — CID 17462301

IUPACmethyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O2/c1-24-19(23)18(15-5-3-2-4-6-15)22-13-11-21(12-14-22)17-9-7-16(20)8-10-17/h2-10,18H,11-14H2,1H3
InChIKeyFDVXNJPDHIREJR-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.86
Rot. Bonds4

About methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate

methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate (PubChem CID 17462301) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate
PubChem CID17462301
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Namemethyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O2/c1-24-19(23)18(15-5-3-2-4-6-15)22-13-11-21(12-14-22)17-9-7-16(20)8-10-17/h2-10,18H,11-14H2,1H3
InChIKeyFDVXNJPDHIREJR-UHFFFAOYSA-N
XLogP2.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate?
The IUPAC name of methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate (CID 17462301) is methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate.
What is the SMILES notation for methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate?
The canonical SMILES for methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate is COC(=O)C(c1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate?
The InChIKey is FDVXNJPDHIREJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-19(23)18(15-5-3-2-4-6-15)22-13-11-21(12-14-22)17-9-7-16(20)8-10-17/h2-10,18H,11-14H2,1H3.
What are the key properties of methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate?
methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate has a molecular weight of 328.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylacetate is sourced from PubChem (CID 17462301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).