4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine

C12H24FNO — CID 155452202

IUPAC4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine
SMILESCCC(C)(C)N1CCC(OCCF)CC1
InChIInChI=1S/C12H24FNO/c1-4-12(2,3)14-8-5-11(6-9-14)15-10-7-13/h11H,4-10H2,1-3H3
InChIKeyXPYBRJBYFLDNDO-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.63
Rot. Bonds5

About 4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine

4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine (PubChem CID 155452202) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine
PubChem CID155452202
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine
SMILESCCC(C)(C)N1CCC(OCCF)CC1
InChIInChI=1S/C12H24FNO/c1-4-12(2,3)14-8-5-11(6-9-14)15-10-7-13/h11H,4-10H2,1-3H3
InChIKeyXPYBRJBYFLDNDO-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine?
The IUPAC name of 4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine (CID 155452202) is 4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine.
What is the SMILES notation for 4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine?
The canonical SMILES for 4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine is CCC(C)(C)N1CCC(OCCF)CC1.
What is the InChIKey of 4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine?
The InChIKey is XPYBRJBYFLDNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-4-12(2,3)14-8-5-11(6-9-14)15-10-7-13/h11H,4-10H2,1-3H3.
What are the key properties of 4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine?
4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine has a molecular weight of 217.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-1-(2-methylbutan-2-yl)piperidine is sourced from PubChem (CID 155452202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).