ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate

C16H23FN2O3 — CID 10710086

IUPACethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3/c1-2-21-16(20)19-11-9-18(10-12-19)8-3-13-22-15-6-4-14(17)5-7-15/h4-7H,2-3,8-13H2,1H3
InChIKeyJSOHAFIHKJGIIB-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.37
Rot. Bonds6

About ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate

ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate (PubChem CID 10710086) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
PubChem CID10710086
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Nameethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3/c1-2-21-16(20)19-11-9-18(10-12-19)8-3-13-22-15-6-4-14(17)5-7-15/h4-7H,2-3,8-13H2,1H3
InChIKeyJSOHAFIHKJGIIB-UHFFFAOYSA-N
XLogP2.37
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[N-[4-(4-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111163176
(1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone
CID 74248574
ethyl 4-[5-(4-pentan-2-ylphenoxy)pentyl]piperazine-1-carboxylate;hydrochloride
CID 54611705
2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one
CID 110638341
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
ethyl 4-[3-oxo-3-(4-propoxyphenyl)propyl]piperazine-1-carboxylate chloride
CID 53350564
N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide
CID 12050260
ethyl 4-[3-[4-[4-[(dimethylamino)methyl]oxan-4-yl]phenoxy]propyl]piperazine-1-carboxylate
CID 59837463
[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 74240927
ethyl 4-[[4-[4-[3-(azepan-1-yl)propoxy]phenyl]oxan-4-yl]methyl]piperazine-1-carboxylate
CID 143132641
3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 67299157
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate (CID 10710086) is ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCCOc2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate?
The InChIKey is JSOHAFIHKJGIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-2-21-16(20)19-11-9-18(10-12-19)8-3-13-22-15-6-4-14(17)5-7-15/h4-7H,2-3,8-13H2,1H3.
What are the key properties of ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate?
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate has a molecular weight of 310.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate is sourced from PubChem (CID 10710086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).