4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine

C11H22FNO — CID 166537460

IUPAC4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine
SMILESCC[C@@H](F)COCC1CCN(C)CC1
InChIInChI=1S/C11H22FNO/c1-3-11(12)9-14-8-10-4-6-13(2)7-5-10/h10-11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyJETKJVHIPVNHHD-LLVKDONJSA-N
MW203.30 g/mol
LogP2.09
Rot. Bonds5

About 4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine

4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine (PubChem CID 166537460) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine
PubChem CID166537460
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine
SMILESCC[C@@H](F)COCC1CCN(C)CC1
InChIInChI=1S/C11H22FNO/c1-3-11(12)9-14-8-10-4-6-13(2)7-5-10/h10-11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyJETKJVHIPVNHHD-LLVKDONJSA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine?
The IUPAC name of 4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine (CID 166537460) is 4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine?
The canonical SMILES for 4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine is CC[C@@H](F)COCC1CCN(C)CC1.
What is the InChIKey of 4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine?
The InChIKey is JETKJVHIPVNHHD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22FNO/c1-3-11(12)9-14-8-10-4-6-13(2)7-5-10/h10-11H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine?
4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine has a molecular weight of 203.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine is sourced from PubChem (CID 166537460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).