4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine

C₁₃H₂₄FNO — CID 137411578

About 4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine

4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine (PubChem CID 137411578) has the molecular formula C₁₃H₂₄FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine.

Molecular Properties

• Compound Name: 4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine
• PubChem CID: 137411578
• Molecular Formula: C₁₃H₂₄FNO
• Molecular Weight: 229.34 g/mol
• Exact Mass: 229.18
• IUPAC Name: 4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine
• SMILES: C[C@@H]1CCOC(CC2(F)CCN(C)CC2)C1
• InChI: InChI=1S/C13H24FNO/c1-11-3-8-16-12(9-11)10-13(14)4-6-15(2)7-5-13/h11-12H,3-10H2,1-2H3/t11-,12?/m1/s1
• InChIKey: ZTSVXLWBZCYSDF-JHJMLUEUSA-N
• XLogP: 2.63
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	229.34
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine?

The IUPAC name of 4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine (CID 137411578) is 4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine.

What is the SMILES notation for 4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine?

The canonical SMILES for 4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine is C[C@@H]1CCOC(CC2(F)CCN(C)CC2)C1.

What is the InChIKey of 4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine?

The InChIKey is ZTSVXLWBZCYSDF-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H24FNO/c1-11-3-8-16-12(9-11)10-13(14)4-6-15(2)7-5-13/h11-12H,3-10H2,1-2H3/t11-,12?/m1/s1.

What are the key properties of 4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine?

4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine has a molecular weight of 229.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine is sourced from PubChem (CID 137411578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 137411578 — identifiers, structure, computed properties (public domain)

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