ethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate

C12H20FNO2 — CID 59508137

IUPACethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(C2CCC2)CC1
InChIInChI=1S/C12H20FNO2/c1-2-16-11(15)12(13)6-8-14(9-7-12)10-4-3-5-10/h10H,2-9H2,1H3
InChIKeyPLHJEKQAEIMDFZ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.91
Rot. Bonds3

About ethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate

ethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate (PubChem CID 59508137) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is ethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate
PubChem CID59508137
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Nameethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(C2CCC2)CC1
InChIInChI=1S/C12H20FNO2/c1-2-16-11(15)12(13)6-8-14(9-7-12)10-4-3-5-10/h10H,2-9H2,1H3
InChIKeyPLHJEKQAEIMDFZ-UHFFFAOYSA-N
XLogP1.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate?
The IUPAC name of ethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate (CID 59508137) is ethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate is CCOC(=O)C1(F)CCN(C2CCC2)CC1.
What is the InChIKey of ethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate?
The InChIKey is PLHJEKQAEIMDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO2/c1-2-16-11(15)12(13)6-8-14(9-7-12)10-4-3-5-10/h10H,2-9H2,1H3.
What are the key properties of ethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate?
ethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate has a molecular weight of 229.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclobutyl-4-fluoropiperidine-4-carboxylate is sourced from PubChem (CID 59508137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).