(2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate

C16H22FNO2 — CID 155931715

IUPAC(2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate
SMILESCC1(C)CCCC(C)(C)N1OC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-15(2)10-5-11-16(3,4)18(15)20-14(19)12-6-8-13(17)9-7-12/h6-9H,5,10-11H2,1-4H3
InChIKeyBSNSENPIGJHQHJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.94
Rot. Bonds2

About (2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate

(2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate (PubChem CID 155931715) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate
PubChem CID155931715
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name(2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate
SMILESCC1(C)CCCC(C)(C)N1OC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-15(2)10-5-11-16(3,4)18(15)20-14(19)12-6-8-13(17)9-7-12/h6-9H,5,10-11H2,1-4H3
InChIKeyBSNSENPIGJHQHJ-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate (CID 155931715) is (2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate is CC1(C)CCCC(C)(C)N1OC(=O)c1ccc(F)cc1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate?
The InChIKey is BSNSENPIGJHQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-15(2)10-5-11-16(3,4)18(15)20-14(19)12-6-8-13(17)9-7-12/h6-9H,5,10-11H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate?
(2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate has a molecular weight of 279.36 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-1-yl) 4-fluorobenzoate is sourced from PubChem (CID 155931715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).