1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine

C11H20FNO — CID 166799716

IUPAC1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine
SMILESCC1CCN([C@@H]2CCOC[C@@H]2F)CC1
InChIInChI=1S/C11H20FNO/c1-9-2-5-13(6-3-9)11-4-7-14-8-10(11)12/h9-11H,2-8H2,1H3/t10-,11+/m0/s1
InChIKeyMGXYMHAZOJIGNA-WDEREUQCSA-N
MW201.28 g/mol
LogP1.85
Rot. Bonds1

About 1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine

1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine (PubChem CID 166799716) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine
PubChem CID166799716
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine
SMILESCC1CCN([C@@H]2CCOC[C@@H]2F)CC1
InChIInChI=1S/C11H20FNO/c1-9-2-5-13(6-3-9)11-4-7-14-8-10(11)12/h9-11H,2-8H2,1H3/t10-,11+/m0/s1
InChIKeyMGXYMHAZOJIGNA-WDEREUQCSA-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 1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine (CID 166799716) is 1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine is CC1CCN([C@@H]2CCOC[C@@H]2F)CC1.
What is the InChIKey of 1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine?
The InChIKey is MGXYMHAZOJIGNA-WDEREUQCSA-N. The full InChI is InChI=1S/C11H20FNO/c1-9-2-5-13(6-3-9)11-4-7-14-8-10(11)12/h9-11H,2-8H2,1H3/t10-,11+/m0/s1.
What are the key properties of 1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine?
1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine 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 1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine is sourced from PubChem (CID 166799716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).