ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate

C15H21FN2O2 — CID 12679858

IUPACethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-20-15(19)18-11-9-17(10-12-18)8-7-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyGMPKAZMLKJDHJB-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.14
Rot. Bonds4

About ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate

ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate (PubChem CID 12679858) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate
PubChem CID12679858
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Nameethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-20-15(19)18-11-9-17(10-12-18)8-7-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyGMPKAZMLKJDHJB-UHFFFAOYSA-N
XLogP2.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
Ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
CID 783518
Ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate
CID 892301
Methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
Ethyl 4-(2-chloro-3-phenyl-2-propen-1-yl)-1-piperazinecarboxylate
CID 5721738
Ethyl 4-(2-phenylethyl)-1-piperazinecarboxylate
CID 783195
US11440922, Example 19
CID 153530156
ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate
CID 782678
Ethyl 4-(2-fluorobenzyl)-1-piperazinecarboxylate
CID 782970
Ethyl 4-[(4-methylphenyl)acetyl]piperazine-1-carboxylate
CID 894934
Ethyl 4-(2,6-difluorobenzyl)-1-piperazinecarboxylate
CID 2055478
Ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate
CID 2922317

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate (CID 12679858) is ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate?
The InChIKey is GMPKAZMLKJDHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-20-15(19)18-11-9-17(10-12-18)8-7-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3.
What are the key properties of ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate has a molecular weight of 280.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 12679858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).