3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine

C11H20FNO — CID 167554533

IUPAC3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine
SMILESCOC1CC(N2CCCC(C)(F)C2)C1
InChIInChI=1S/C11H20FNO/c1-11(12)4-3-5-13(8-11)9-6-10(7-9)14-2/h9-10H,3-8H2,1-2H3
InChIKeyOOCPKSSZCPGUHN-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.99
Rot. Bonds2

About 3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine

3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine (PubChem CID 167554533) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine.

Molecular Properties

Compound Name3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine
PubChem CID167554533
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine
SMILESCOC1CC(N2CCCC(C)(F)C2)C1
InChIInChI=1S/C11H20FNO/c1-11(12)4-3-5-13(8-11)9-6-10(7-9)14-2/h9-10H,3-8H2,1-2H3
InChIKeyOOCPKSSZCPGUHN-UHFFFAOYSA-N
XLogP1.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine?
The IUPAC name of 3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine (CID 167554533) is 3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine.
What is the SMILES notation for 3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine?
The canonical SMILES for 3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine is COC1CC(N2CCCC(C)(F)C2)C1.
What is the InChIKey of 3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine?
The InChIKey is OOCPKSSZCPGUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(12)4-3-5-13(8-11)9-6-10(7-9)14-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine?
3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine has a molecular weight of 201.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine is sourced from PubChem (CID 167554533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).