tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate

C17H25FN2O3 — CID 58332758

IUPACtert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25FN2O3/c1-12-5-6-13(10-20(12)16(21)23-17(2,3)4)11-22-15-8-7-14(18)9-19-15/h7-9,12-13H,5-6,10-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyYVCDNHTVDDKQGS-CHWSQXEVSA-N
MW324.40 g/mol
LogP3.64
Rot. Bonds3

About tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate

tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate (PubChem CID 58332758) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate
PubChem CID58332758
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Nametert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25FN2O3/c1-12-5-6-13(10-20(12)16(21)23-17(2,3)4)11-22-15-8-7-14(18)9-19-15/h7-9,12-13H,5-6,10-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyYVCDNHTVDDKQGS-CHWSQXEVSA-N
XLogP3.64
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate (CID 58332758) is tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate is C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate?
The InChIKey is YVCDNHTVDDKQGS-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-12-5-6-13(10-20(12)16(21)23-17(2,3)4)11-22-15-8-7-14(18)9-19-15/h7-9,12-13H,5-6,10-11H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate?
tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate has a molecular weight of 324.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 58332758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).