ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate

C15H21FN2O2 — CID 61002608

IUPACethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate
SMILESCCOC(=O)C(C)(c1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C15H21FN2O2/c1-3-20-14(19)15(2,18-9-7-17-8-10-18)12-5-4-6-13(16)11-12/h4-6,11,17H,3,7-10H2,1-2H3
InChIKeyGTPOJTIUUQJHLS-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.51
Rot. Bonds4

About ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate

ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate (PubChem CID 61002608) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate
PubChem CID61002608
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Nameethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate
SMILESCCOC(=O)C(C)(c1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C15H21FN2O2/c1-3-20-14(19)15(2,18-9-7-17-8-10-18)12-5-4-6-13(16)11-12/h4-6,11,17H,3,7-10H2,1-2H3
InChIKeyGTPOJTIUUQJHLS-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpropanoate
CID 62915911
ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate
CID 61002272
ethyl 2-(1,4-diazepan-1-yl)-2-phenylpropanoate
CID 60992972
ethyl 2-(4-bromophenyl)-2-piperazin-1-ylpropanoate
CID 61002025
ethyl 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoate
CID 114832094
diethyl 2-ethyl-2-(3-fluorophenyl)propanedioate
CID 103973181
ethyl 2-(3-fluorophenyl)-2-hydroxybutanoate
CID 114872880
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599252
ethyl 2-(aminomethyl)-4-cyclopropyl-2-(3-fluorophenyl)butanoate
CID 106490280
ethyl 2-fluoro-3-(3-fluorophenyl)-3-hydroxybutanoate
CID 79367020
diethyl 2-[1-(3-fluorophenyl)-1-hydroxyethyl]propanedioate
CID 62395295
ethyl 2-methyl-2-piperazin-1-ylbutanoate
CID 61001895

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate?
The IUPAC name of ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate (CID 61002608) is ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate.
What is the SMILES notation for ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate?
The canonical SMILES for ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate is CCOC(=O)C(C)(c1cccc(F)c1)N1CCNCC1.
What is the InChIKey of ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate?
The InChIKey is GTPOJTIUUQJHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-20-14(19)15(2,18-9-7-17-8-10-18)12-5-4-6-13(16)11-12/h4-6,11,17H,3,7-10H2,1-2H3.
What are the key properties of ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate?
ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate has a molecular weight of 280.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate is sourced from PubChem (CID 61002608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).