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

C14H24FNO4 — CID 23512083

IUPACtert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1F
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
InChIKeySLVXHAKCMVOQSY-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.53
Rot. Bonds3

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

tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate (PubChem CID 23512083) has the molecular formula C14H24FNO4 and a molecular weight of 289.35 g/mol. Its IUPAC name is tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate
PubChem CID23512083
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Nametert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1F
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
InChIKeySLVXHAKCMVOQSY-UHFFFAOYSA-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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Related Compounds

1-Tert-butyl 3-ethyl piperidine-1,3-dicarboxylate
CID 357727
1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
[1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid
CID 1512539
1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate
CID 6420876
Ethyl (S)-N-Boc-piperidine-3-carboxylate
CID 1514445
Ethyl 1-((1,1-dimethylethoxy)carbonyl)-4-piperidineacetate
CID 9993342
1-tert-Butyl 3-methyl piperidine-1,3-dicarboxylate
CID 23590652
1-Tert-butyl 3-methyl 5,5-difluoropiperidine-1,3-dicarboxylate
CID 68309262
2-{1-[(Tert-butoxy)carbonyl]-3-fluoropiperidin-4-yl}acetic acid
CID 73977838
2-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)-2-fluoroacetic acid
CID 105514240
2-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}-2,2-difluoroacetic acid
CID 105521270
1-tert-Butyl 3-ethyl (3R)-piperidine-1,3-dicarboxylate
CID 1514446

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate (CID 23512083) is tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate is CCOC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1F.
What is the InChIKey of tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate?
The InChIKey is SLVXHAKCMVOQSY-UHFFFAOYSA-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.
What are the key properties of tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate?
tert-butyl 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 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 23512083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).