tert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate

C14H24FNO4 — CID 95171290

IUPACtert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F
InChIInChI=1S/C14H24FNO4/c1-5-19-12(17)8-10-6-7-16(9-11(10)15)13(18)20-14(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeySLVXHAKCMVOQSY-MNOVXSKESA-N
MW289.35 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate

tert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate (PubChem CID 95171290) has the molecular formula C14H24FNO4 and a molecular weight of 289.35 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate
PubChem CID95171290
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Nametert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F
InChIInChI=1S/C14H24FNO4/c1-5-19-12(17)8-10-6-7-16(9-11(10)15)13(18)20-14(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeySLVXHAKCMVOQSY-MNOVXSKESA-N
XLogP2.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate (CID 95171290) is tert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate is CCOC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F.
What is the InChIKey of tert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate?
The InChIKey is SLVXHAKCMVOQSY-MNOVXSKESA-N. The full InChI is InChI=1S/C14H24FNO4/c1-5-19-12(17)8-10-6-7-16(9-11(10)15)13(18)20-14(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of tert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate?
tert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate has a molecular weight of 289.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 95171290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).