tert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate

C18H26FNO4 — CID 71268614

IUPACtert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(COCc2ccccc2)C(F)C1
InChIInChI=1S/C18H26FNO4/c1-17(2,3)24-16(21)20-10-9-18(22,15(19)11-20)13-23-12-14-7-5-4-6-8-14/h4-8,15,22H,9-13H2,1-3H3
InChIKeyQEPUEXZSVVVCKW-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.91
Rot. Bonds4

About tert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate

tert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate (PubChem CID 71268614) has the molecular formula C18H26FNO4 and a molecular weight of 339.41 g/mol. Its IUPAC name is tert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate
PubChem CID71268614
Molecular FormulaC18H26FNO4
Molecular Weight339.41 g/mol
Exact Mass339.18
IUPAC Nametert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(COCc2ccccc2)C(F)C1
InChIInChI=1S/C18H26FNO4/c1-17(2,3)24-16(21)20-10-9-18(22,15(19)11-20)13-23-12-14-7-5-4-6-8-14/h4-8,15,22H,9-13H2,1-3H3
InChIKeyQEPUEXZSVVVCKW-UHFFFAOYSA-N
XLogP2.91
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate (CID 71268614) is tert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(COCc2ccccc2)C(F)C1.
What is the InChIKey of tert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate?
The InChIKey is QEPUEXZSVVVCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO4/c1-17(2,3)24-16(21)20-10-9-18(22,15(19)11-20)13-23-12-14-7-5-4-6-8-14/h4-8,15,22H,9-13H2,1-3H3.
What are the key properties of tert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate?
tert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate has a molecular weight of 339.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-4-hydroxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 71268614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).