tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate

C17H24FNO2 — CID 156798736

IUPACtert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCC(c2ccccc2F)CC1
InChIInChI=1S/C17H24FNO2/c1-17(2,3)21-16(20)12-19-10-8-13(9-11-19)14-6-4-5-7-15(14)18/h4-7,13H,8-12H2,1-3H3
InChIKeyUUVDKNFRXMHBLJ-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate

tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate (PubChem CID 156798736) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate
PubChem CID156798736
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Nametert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCC(c2ccccc2F)CC1
InChIInChI=1S/C17H24FNO2/c1-17(2,3)21-16(20)12-19-10-8-13(9-11-19)14-6-4-5-7-15(14)18/h4-7,13H,8-12H2,1-3H3
InChIKeyUUVDKNFRXMHBLJ-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate (CID 156798736) is tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCC(c2ccccc2F)CC1.
What is the InChIKey of tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate?
The InChIKey is UUVDKNFRXMHBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-17(2,3)21-16(20)12-19-10-8-13(9-11-19)14-6-4-5-7-15(14)18/h4-7,13H,8-12H2,1-3H3.
What are the key properties of tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate?
tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate has a molecular weight of 293.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate is sourced from PubChem (CID 156798736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).