3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine

C11H18FNO — CID 104059477

IUPAC3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine
SMILESC1CC(CNC1)C(C2=COCCC2)F
InChIInChI=1S/C11H18FNO/c12-11(9-3-1-5-13-7-9)10-4-2-6-14-8-10/h8-9,11,13H,1-7H2
InChIKeyVWUMVVJALMLYAS-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.20
Rot. Bonds2

About 3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine

3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine (PubChem CID 104059477) has the molecular formula C11H18FNO and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine.

Molecular Properties

Compound Name3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine
PubChem CID104059477
Molecular FormulaC11H18FNO
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine
SMILESC1CC(CNC1)C(C2=COCCC2)F
InChIInChI=1S/C11H18FNO/c12-11(9-3-1-5-13-7-9)10-4-2-6-14-8-10/h8-9,11,13H,1-7H2
InChIKeyVWUMVVJALMLYAS-UHFFFAOYSA-N
XLogP1.20
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity217

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine?
The IUPAC name of 3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine (CID 104059477) is 3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine.
What is the SMILES notation for 3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine?
The canonical SMILES for 3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine is C1CC(CNC1)C(C2=COCCC2)F.
What is the InChIKey of 3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine?
The InChIKey is VWUMVVJALMLYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c12-11(9-3-1-5-13-7-9)10-4-2-6-14-8-10/h8-9,11,13H,1-7H2.
What are the key properties of 3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine?
3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine has a molecular weight of 199.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine is sourced from PubChem (CID 104059477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).