tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate

C13H24FNO3 — CID 134168099

IUPACtert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate
SMILESCC(F)OC[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24FNO3/c1-10(14)17-9-11-7-5-6-8-15(11)12(16)18-13(2,3)4/h10-11H,5-9H2,1-4H3/t10?,11-/m1/s1
InChIKeyWPJKEEASZKHPQO-RRKGBCIJSA-N
MW261.34 g/mol
LogP3.11
Rot. Bonds3

About tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate

tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate (PubChem CID 134168099) has the molecular formula C13H24FNO3 and a molecular weight of 261.34 g/mol. Its IUPAC name is tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate
PubChem CID134168099
Molecular FormulaC13H24FNO3
Molecular Weight261.34 g/mol
Exact Mass261.17
IUPAC Nametert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate
SMILESCC(F)OC[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24FNO3/c1-10(14)17-9-11-7-5-6-8-15(11)12(16)18-13(2,3)4/h10-11H,5-9H2,1-4H3/t10?,11-/m1/s1
InChIKeyWPJKEEASZKHPQO-RRKGBCIJSA-N
XLogP3.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate (CID 134168099) is tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate is CC(F)OC[C@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate?
The InChIKey is WPJKEEASZKHPQO-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H24FNO3/c1-10(14)17-9-11-7-5-6-8-15(11)12(16)18-13(2,3)4/h10-11H,5-9H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate?
tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate has a molecular weight of 261.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 134168099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).