1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine

C12H24FNO — CID 130278938

IUPAC1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine
SMILESCCC(C)(C)OC1CCN(CCF)CC1
InChIInChI=1S/C12H24FNO/c1-4-12(2,3)15-11-5-8-14(9-6-11)10-7-13/h11H,4-10H2,1-3H3
InChIKeyPEVBEGLVIMCNLX-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.63
Rot. Bonds5

About 1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine

1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine (PubChem CID 130278938) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine
PubChem CID130278938
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine
SMILESCCC(C)(C)OC1CCN(CCF)CC1
InChIInChI=1S/C12H24FNO/c1-4-12(2,3)15-11-5-8-14(9-6-11)10-7-13/h11H,4-10H2,1-3H3
InChIKeyPEVBEGLVIMCNLX-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 1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine?
The IUPAC name of 1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine (CID 130278938) is 1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine?
The canonical SMILES for 1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine is CCC(C)(C)OC1CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine?
The InChIKey is PEVBEGLVIMCNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-4-12(2,3)15-11-5-8-14(9-6-11)10-7-13/h11H,4-10H2,1-3H3.
What are the key properties of 1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine?
1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)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 1-(2-fluoroethyl)-4-(2-methylbutan-2-yloxy)piperidine is sourced from PubChem (CID 130278938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).