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

C16H23FN2O2 — CID 115996181

IUPACethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(CC)c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-3-14(12-7-5-6-8-13(12)17)19-10-9-18-11-15(19)16(20)21-4-2/h5-8,14-15,18H,3-4,9-11H2,1-2H3
InChIKeyHLAYWOLTWGFKRD-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.11
Rot. Bonds5

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

ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate (PubChem CID 115996181) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate
PubChem CID115996181
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nameethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(CC)c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-3-14(12-7-5-6-8-13(12)17)19-10-9-18-11-15(19)16(20)21-4-2/h5-8,14-15,18H,3-4,9-11H2,1-2H3
InChIKeyHLAYWOLTWGFKRD-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487540
1-[1-(2-fluorophenyl)propyl]azepane-2-carboxylic acid
CID 115997267
ethyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 10850510
ethyl 1-[(3-fluoro-4-hydroxyphenyl)methyl]piperazine-2-carboxylate
CID 107692096
ethyl 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperazine-2-carboxylate
CID 83059443
ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate
CID 113432137
ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 64539874
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate
CID 113265828
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide
CID 115940603
[1-[1-(2-fluorophenyl)propyl]piperidin-2-yl]methanamine
CID 112679200

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate?
The IUPAC name of ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate (CID 115996181) is ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate is CCOC(=O)C1CNCCN1C(CC)c1ccccc1F.
What is the InChIKey of ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate?
The InChIKey is HLAYWOLTWGFKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-14(12-7-5-6-8-13(12)17)19-10-9-18-11-15(19)16(20)21-4-2/h5-8,14-15,18H,3-4,9-11H2,1-2H3.
What are the key properties of ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate?
ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate is sourced from PubChem (CID 115996181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).