tert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate

C13H23FN2O3 — CID 165433770

IUPACtert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate
SMILESCC(=O)NCC1(F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23FN2O3/c1-10(17)15-9-13(14)5-7-16(8-6-13)11(18)19-12(2,3)4/h5-9H2,1-4H3,(H,15,17)
InChIKeyIYFKTNACTVAMPJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.86
Rot. Bonds2

About tert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate

tert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate (PubChem CID 165433770) has the molecular formula C13H23FN2O3 and a molecular weight of 274.34 g/mol. Its IUPAC name is tert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate
PubChem CID165433770
Molecular FormulaC13H23FN2O3
Molecular Weight274.34 g/mol
Exact Mass274.17
IUPAC Nametert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate
SMILESCC(=O)NCC1(F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23FN2O3/c1-10(17)15-9-13(14)5-7-16(8-6-13)11(18)19-12(2,3)4/h5-9H2,1-4H3,(H,15,17)
InChIKeyIYFKTNACTVAMPJ-UHFFFAOYSA-N
XLogP1.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-Butoxycarbonyl)piperidine-4-carboxamide
CID 2735646
4-(2-Aminoethyl)piperidine, 4-BOC protected
CID 1501849
Tert-butyl (piperidin-4-ylmethyl)carbamate
CID 723429
1-Boc-4-(aminomethyl)piperidine
CID 736817
tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
CID 11736104
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
CID 23004743
tert-Butyl 4-((methylamino)methyl)piperidine-1-carboxylate
CID 21934652
tert-butyl N-methyl-N-[(piperidin-3-yl)methyl]carbamate
CID 23004744
tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate
CID 1514256
tert-Butyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 1514258
Tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 2757240
Tert-butyl 3-(2-aminoethyl)piperidine-1-carboxylate
CID 5001227

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate (CID 165433770) is tert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate is CC(=O)NCC1(F)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate?
The InChIKey is IYFKTNACTVAMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O3/c1-10(17)15-9-13(14)5-7-16(8-6-13)11(18)19-12(2,3)4/h5-9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate?
tert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate has a molecular weight of 274.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(acetamidomethyl)-4-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 165433770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).