3-cyclobutyl-4-fluoro-4-methylpiperidine

C10H18FN — CID 84717415

IUPAC3-cyclobutyl-4-fluoro-4-methylpiperidine
SMILESCC1(F)CCNCC1C1CCC1
InChIInChI=1S/C10H18FN/c1-10(11)5-6-12-7-9(10)8-3-2-4-8/h8-9,12H,2-7H2,1H3
InChIKeyYKHKBIXSBCNISU-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.12
Rot. Bonds1

About 3-cyclobutyl-4-fluoro-4-methylpiperidine

3-cyclobutyl-4-fluoro-4-methylpiperidine (PubChem CID 84717415) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-cyclobutyl-4-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name3-cyclobutyl-4-fluoro-4-methylpiperidine
PubChem CID84717415
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-cyclobutyl-4-fluoro-4-methylpiperidine
SMILESCC1(F)CCNCC1C1CCC1
InChIInChI=1S/C10H18FN/c1-10(11)5-6-12-7-9(10)8-3-2-4-8/h8-9,12H,2-7H2,1H3
InChIKeyYKHKBIXSBCNISU-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-fluoro-4-methylpiperidine?
The IUPAC name of 3-cyclobutyl-4-fluoro-4-methylpiperidine (CID 84717415) is 3-cyclobutyl-4-fluoro-4-methylpiperidine.
What is the SMILES notation for 3-cyclobutyl-4-fluoro-4-methylpiperidine?
The canonical SMILES for 3-cyclobutyl-4-fluoro-4-methylpiperidine is CC1(F)CCNCC1C1CCC1.
What is the InChIKey of 3-cyclobutyl-4-fluoro-4-methylpiperidine?
The InChIKey is YKHKBIXSBCNISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-10(11)5-6-12-7-9(10)8-3-2-4-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 3-cyclobutyl-4-fluoro-4-methylpiperidine?
3-cyclobutyl-4-fluoro-4-methylpiperidine has a molecular weight of 171.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-fluoro-4-methylpiperidine is sourced from PubChem (CID 84717415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).