benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate

C19H21FN2O2 — CID 655391

IUPACbenzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)OCc1ccccc1
InChIInChI=1S/C19H21FN2O2/c20-17-6-8-18(9-7-17)22-12-10-21(11-13-22)14-19(23)24-15-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyUGTOBILEWVUNBN-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.69
Rot. Bonds5

About benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate

benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate (PubChem CID 655391) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate
PubChem CID655391
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Namebenzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)OCc1ccccc1
InChIInChI=1S/C19H21FN2O2/c20-17-6-8-18(9-7-17)22-12-10-21(11-13-22)14-19(23)24-15-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyUGTOBILEWVUNBN-UHFFFAOYSA-N
XLogP2.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate?
The IUPAC name of benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate (CID 655391) is benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate.
What is the SMILES notation for benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate?
The canonical SMILES for benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate is O=C(CN1CCN(c2ccc(F)cc2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate?
The InChIKey is UGTOBILEWVUNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-17-6-8-18(9-7-17)22-12-10-21(11-13-22)14-19(23)24-15-16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate?
benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate has a molecular weight of 328.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]acetate is sourced from PubChem (CID 655391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).