2-cyclobutyl-4-fluoro-2-methylpiperidine

C10H18FN — CID 115013920

IUPAC2-cyclobutyl-4-fluoro-2-methylpiperidine
SMILESCC1(C2CCC2)CC(F)CCN1
InChIInChI=1S/C10H18FN/c1-10(8-3-2-4-8)7-9(11)5-6-12-10/h8-9,12H,2-7H2,1H3
InChIKeyVSSSYZKAUGOLOL-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.27
Rot. Bonds1

About 2-cyclobutyl-4-fluoro-2-methylpiperidine

2-cyclobutyl-4-fluoro-2-methylpiperidine (PubChem CID 115013920) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-cyclobutyl-4-fluoro-2-methylpiperidine.

Molecular Properties

Compound Name2-cyclobutyl-4-fluoro-2-methylpiperidine
PubChem CID115013920
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-cyclobutyl-4-fluoro-2-methylpiperidine
SMILESCC1(C2CCC2)CC(F)CCN1
InChIInChI=1S/C10H18FN/c1-10(8-3-2-4-8)7-9(11)5-6-12-10/h8-9,12H,2-7H2,1H3
InChIKeyVSSSYZKAUGOLOL-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-fluoro-2-methylpiperidine?
The IUPAC name of 2-cyclobutyl-4-fluoro-2-methylpiperidine (CID 115013920) is 2-cyclobutyl-4-fluoro-2-methylpiperidine.
What is the SMILES notation for 2-cyclobutyl-4-fluoro-2-methylpiperidine?
The canonical SMILES for 2-cyclobutyl-4-fluoro-2-methylpiperidine is CC1(C2CCC2)CC(F)CCN1.
What is the InChIKey of 2-cyclobutyl-4-fluoro-2-methylpiperidine?
The InChIKey is VSSSYZKAUGOLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-10(8-3-2-4-8)7-9(11)5-6-12-10/h8-9,12H,2-7H2,1H3.
What are the key properties of 2-cyclobutyl-4-fluoro-2-methylpiperidine?
2-cyclobutyl-4-fluoro-2-methylpiperidine has a molecular weight of 171.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-fluoro-2-methylpiperidine is sourced from PubChem (CID 115013920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).