cyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone

C18H24FNO2 — CID 53038001

IUPACcyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C18H24FNO2/c19-16-5-2-6-17(13-16)22-12-9-14-7-10-20(11-8-14)18(21)15-3-1-4-15/h2,5-6,13-15H,1,3-4,7-12H2
InChIKeyOHTOBLBTMULVOC-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.63
Rot. Bonds5

About cyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone

cyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone (PubChem CID 53038001) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is cyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
PubChem CID53038001
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Namecyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C18H24FNO2/c19-16-5-2-6-17(13-16)22-12-9-14-7-10-20(11-8-14)18(21)15-3-1-4-15/h2,5-6,13-15H,1,3-4,7-12H2
InChIKeyOHTOBLBTMULVOC-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone (CID 53038001) is cyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(CCOc2cccc(F)c2)CC1.
What is the InChIKey of cyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The InChIKey is OHTOBLBTMULVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c19-16-5-2-6-17(13-16)22-12-9-14-7-10-20(11-8-14)18(21)15-3-1-4-15/h2,5-6,13-15H,1,3-4,7-12H2.
What are the key properties of cyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
cyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone has a molecular weight of 305.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53038001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).