1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine

C13H24FNO — CID 70882747

IUPAC1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(C[C@H]2OC[C@H](F)C[C@H]2C)CC1
InChIInChI=1S/C13H24FNO/c1-10-3-5-15(6-4-10)8-13-11(2)7-12(14)9-16-13/h10-13H,3-9H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyGNUWCJJYGHEIAI-JHJVBQTASA-N
MW229.34 g/mol
LogP2.48
Rot. Bonds2

About 1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine

1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine (PubChem CID 70882747) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine
PubChem CID70882747
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(C[C@H]2OC[C@H](F)C[C@H]2C)CC1
InChIInChI=1S/C13H24FNO/c1-10-3-5-15(6-4-10)8-13-11(2)7-12(14)9-16-13/h10-13H,3-9H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyGNUWCJJYGHEIAI-JHJVBQTASA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine (CID 70882747) is 1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine is CC1CCN(C[C@H]2OC[C@H](F)C[C@H]2C)CC1.
What is the InChIKey of 1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine?
The InChIKey is GNUWCJJYGHEIAI-JHJVBQTASA-N. The full InChI is InChI=1S/C13H24FNO/c1-10-3-5-15(6-4-10)8-13-11(2)7-12(14)9-16-13/h10-13H,3-9H2,1-2H3/t11-,12-,13-/m1/s1.
What are the key properties of 1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine?
1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine has a molecular weight of 229.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,3R,5R)-5-fluoro-3-methyloxan-2-yl]methyl]-4-methylpiperidine is sourced from PubChem (CID 70882747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).