tert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate

C13H24FNO3 — CID 129270781

IUPACtert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate
SMILESCCCOC1CCN(C(=O)OC(C)(C)C)C[C@H]1F
InChIInChI=1S/C13H24FNO3/c1-5-8-17-11-6-7-15(9-10(11)14)12(16)18-13(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11?/m1/s1
InChIKeyKJJOVEXLGPWQQX-NFJWQWPMSA-N
MW261.34 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate

tert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate (PubChem CID 129270781) has the molecular formula C13H24FNO3 and a molecular weight of 261.34 g/mol. Its IUPAC name is tert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate
PubChem CID129270781
Molecular FormulaC13H24FNO3
Molecular Weight261.34 g/mol
Exact Mass261.17
IUPAC Nametert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate
SMILESCCCOC1CCN(C(=O)OC(C)(C)C)C[C@H]1F
InChIInChI=1S/C13H24FNO3/c1-5-8-17-11-6-7-15(9-10(11)14)12(16)18-13(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11?/m1/s1
InChIKeyKJJOVEXLGPWQQX-NFJWQWPMSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate (CID 129270781) is tert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate is CCCOC1CCN(C(=O)OC(C)(C)C)C[C@H]1F.
What is the InChIKey of tert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate?
The InChIKey is KJJOVEXLGPWQQX-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H24FNO3/c1-5-8-17-11-6-7-15(9-10(11)14)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 (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate?
tert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate has a molecular weight of 261.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate is sourced from PubChem (CID 129270781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).