(3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine

C11H20FNO — CID 176945917

IUPAC(3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine
SMILESC[C@@H]1C[C@@H](F)CN(C2CCOCC2)C1
InChIInChI=1S/C11H20FNO/c1-9-6-10(12)8-13(7-9)11-2-4-14-5-3-11/h9-11H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyZAKBRNXFKGCHKB-NXEZZACHSA-N
MW201.28 g/mol
LogP1.85
Rot. Bonds1

About (3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine

(3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine (PubChem CID 176945917) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name(3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine
PubChem CID176945917
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine
SMILESC[C@@H]1C[C@@H](F)CN(C2CCOCC2)C1
InChIInChI=1S/C11H20FNO/c1-9-6-10(12)8-13(7-9)11-2-4-14-5-3-11/h9-11H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyZAKBRNXFKGCHKB-NXEZZACHSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine?
The IUPAC name of (3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine (CID 176945917) is (3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine.
What is the SMILES notation for (3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine?
The canonical SMILES for (3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine is C[C@@H]1C[C@@H](F)CN(C2CCOCC2)C1.
What is the InChIKey of (3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine?
The InChIKey is ZAKBRNXFKGCHKB-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20FNO/c1-9-6-10(12)8-13(7-9)11-2-4-14-5-3-11/h9-11H,2-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of (3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine?
(3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine has a molecular weight of 201.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 176945917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).