(3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine

C12H22FNO — CID 129349322

IUPAC(3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine
SMILESC[C@@]1(F)CCCN(C[C@@H]2CCCOC2)C1
InChIInChI=1S/C12H22FNO/c1-12(13)5-3-6-14(10-12)8-11-4-2-7-15-9-11/h11H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeyXXCWTOVXPRBBAZ-NWDGAFQWSA-N
MW215.31 g/mol
LogP2.24
Rot. Bonds2

About (3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine

(3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine (PubChem CID 129349322) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is (3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine
PubChem CID129349322
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name(3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine
SMILESC[C@@]1(F)CCCN(C[C@@H]2CCCOC2)C1
InChIInChI=1S/C12H22FNO/c1-12(13)5-3-6-14(10-12)8-11-4-2-7-15-9-11/h11H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeyXXCWTOVXPRBBAZ-NWDGAFQWSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine?
The IUPAC name of (3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine (CID 129349322) is (3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine.
What is the SMILES notation for (3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine?
The canonical SMILES for (3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine is C[C@@]1(F)CCCN(C[C@@H]2CCCOC2)C1.
What is the InChIKey of (3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine?
The InChIKey is XXCWTOVXPRBBAZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H22FNO/c1-12(13)5-3-6-14(10-12)8-11-4-2-7-15-9-11/h11H,2-10H2,1H3/t11-,12+/m0/s1.
What are the key properties of (3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine?
(3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine has a molecular weight of 215.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine is sourced from PubChem (CID 129349322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).