3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine

C11H18FNO — CID 131195903

IUPAC3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine
SMILESCC1NCCCC1(F)C1=COCCC1
InChIInChI=1S/C11H18FNO/c1-9-11(12,5-3-6-13-9)10-4-2-7-14-8-10/h8-9,13H,2-7H2,1H3
InChIKeyVHRURAKOQZJLOT-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.16
Rot. Bonds1

About 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine

3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine (PubChem CID 131195903) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine
PubChem CID131195903
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine
SMILESCC1NCCCC1(F)C1=COCCC1
InChIInChI=1S/C11H18FNO/c1-9-11(12,5-3-6-13-9)10-4-2-7-14-8-10/h8-9,13H,2-7H2,1H3
InChIKeyVHRURAKOQZJLOT-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoropiperidine
CID 104059468
4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoropiperidine
CID 104059469
4-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine
CID 104059471
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 104059474
3-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]piperidine
CID 104059475
3-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine
CID 104059477
4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoroazepane
CID 104059486
2-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine
CID 106635094
2-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoropropyl]piperidine
CID 116011105
3-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoropropyl]morpholine
CID 116011395
2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine
CID 127016512
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine
CID 130574668

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine (CID 131195903) is 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine is CC1NCCCC1(F)C1=COCCC1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine?
The InChIKey is VHRURAKOQZJLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-9-11(12,5-3-6-13-9)10-4-2-7-14-8-10/h8-9,13H,2-7H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine?
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine has a molecular weight of 199.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine is sourced from PubChem (CID 131195903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).