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

C16H20FNO2 — CID 53014145

IUPACcyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H20FNO2/c17-13-5-2-6-15(11-13)20-14-7-9-18(10-8-14)16(19)12-3-1-4-12/h2,5-6,11-12,14H,1,3-4,7-10H2
InChIKeyYLYKNXIFJUMXIK-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.00
Rot. Bonds3

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

cyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 53014145) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is cyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID53014145
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Namecyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H20FNO2/c17-13-5-2-6-15(11-13)20-14-7-9-18(10-8-14)16(19)12-3-1-4-12/h2,5-6,11-12,14H,1,3-4,7-10H2
InChIKeyYLYKNXIFJUMXIK-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone (CID 53014145) is cyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of cyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is YLYKNXIFJUMXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-13-5-2-6-15(11-13)20-14-7-9-18(10-8-14)16(19)12-3-1-4-12/h2,5-6,11-12,14H,1,3-4,7-10H2.
What are the key properties of cyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
cyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 277.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 53014145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).