tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate

C13H24FNO3 — CID 134168095

IUPACtert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate
SMILESCC(F)OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24FNO3/c1-10(14)17-9-11-5-7-15(8-6-11)12(16)18-13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeySPIVRBNMGBISSB-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate

tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate (PubChem CID 134168095) has the molecular formula C13H24FNO3 and a molecular weight of 261.34 g/mol. Its IUPAC name is tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate
PubChem CID134168095
Molecular FormulaC13H24FNO3
Molecular Weight261.34 g/mol
Exact Mass261.17
IUPAC Nametert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate
SMILESCC(F)OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24FNO3/c1-10(14)17-9-11-5-7-15(8-6-11)12(16)18-13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeySPIVRBNMGBISSB-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(4-hydroxypentan-2-yloxymethyl)piperidine-1-carboxylate
CID 171082100
tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
CID 122487536
tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate
CID 53302080
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
CID 174994313
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 4-(3,3,3-trifluoropropoxymethyl)piperidine-1-carboxylate
CID 118481409
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate
CID 142324969
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate (CID 134168095) is tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate is CC(F)OCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate?
The InChIKey is SPIVRBNMGBISSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO3/c1-10(14)17-9-11-5-7-15(8-6-11)12(16)18-13(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate?
tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate has a molecular weight of 261.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 134168095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).