tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate

C12H22FNO3 — CID 53302308

IUPACtert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(F)CO)CC1
InChIInChI=1S/C12H22FNO3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)10(13)8-15/h9-10,15H,4-8H2,1-3H3
InChIKeyQGEYVOBSVRXLBI-UHFFFAOYSA-N
MW247.31 g/mol
LogP1.96
Rot. Bonds2

About tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate

tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 53302308) has the molecular formula C12H22FNO3 and a molecular weight of 247.31 g/mol. Its IUPAC name is tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate
PubChem CID53302308
Molecular FormulaC12H22FNO3
Molecular Weight247.31 g/mol
Exact Mass247.16
IUPAC Nametert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(F)CO)CC1
InChIInChI=1S/C12H22FNO3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)10(13)8-15/h9-10,15H,4-8H2,1-3H3
InChIKeyQGEYVOBSVRXLBI-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate (CID 53302308) is tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(F)CO)CC1.
What is the InChIKey of tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is QGEYVOBSVRXLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)10(13)8-15/h9-10,15H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate?
tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 247.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 53302308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).