1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine

C13H24FNO — CID 141160118

IUPAC1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine
SMILESCC1(C)CC(CN2CCC(F)CC2)CCO1
InChIInChI=1S/C13H24FNO/c1-13(2)9-11(5-8-16-13)10-15-6-3-12(14)4-7-15/h11-12H,3-10H2,1-2H3
InChIKeyXQXYUZHEHRQGRA-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.63
Rot. Bonds2

About 1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine

1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine (PubChem CID 141160118) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine
PubChem CID141160118
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine
SMILESCC1(C)CC(CN2CCC(F)CC2)CCO1
InChIInChI=1S/C13H24FNO/c1-13(2)9-11(5-8-16-13)10-15-6-3-12(14)4-7-15/h11-12H,3-10H2,1-2H3
InChIKeyXQXYUZHEHRQGRA-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine?
The IUPAC name of 1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine (CID 141160118) is 1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine.
What is the SMILES notation for 1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine?
The canonical SMILES for 1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine is CC1(C)CC(CN2CCC(F)CC2)CCO1.
What is the InChIKey of 1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine?
The InChIKey is XQXYUZHEHRQGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-13(2)9-11(5-8-16-13)10-15-6-3-12(14)4-7-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine?
1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine has a molecular weight of 229.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidine is sourced from PubChem (CID 141160118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).