ethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate

C16H23FN2O3 — CID 50975559

IUPACethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCOc2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O3/c1-2-21-16(20)19-10-7-13(8-11-19)18-9-12-22-15-6-4-3-5-14(15)17/h3-6,13,18H,2,7-12H2,1H3
InChIKeySPBQLAANBZILSW-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.41
Rot. Bonds6

About ethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate

ethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate (PubChem CID 50975559) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is ethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate
PubChem CID50975559
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Nameethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCOc2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O3/c1-2-21-16(20)19-10-7-13(8-11-19)18-9-12-22-15-6-4-3-5-14(15)17/h3-6,13,18H,2,7-12H2,1H3
InChIKeySPBQLAANBZILSW-UHFFFAOYSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate (CID 50975559) is ethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCOc2ccccc2F)CC1.
What is the InChIKey of ethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate?
The InChIKey is SPBQLAANBZILSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-2-21-16(20)19-10-7-13(8-11-19)18-9-12-22-15-6-4-3-5-14(15)17/h3-6,13,18H,2,7-12H2,1H3.
What are the key properties of ethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate has a molecular weight of 310.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-fluorophenoxy)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 50975559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).