tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate

C17H26FN3O4 — CID 178170933

IUPACtert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](Oc2cnc(C(C)(C)O)cn2)[C@H](F)C1
InChIInChI=1S/C17H26FN3O4/c1-16(2,3)25-15(22)21-7-6-12(11(18)10-21)24-14-9-19-13(8-20-14)17(4,5)23/h8-9,11-12,23H,6-7,10H2,1-5H3/t11-,12+/m1/s1
InChIKeyIZGICXYRJPGFNC-NEPJUHHUSA-N
MW355.41 g/mol
LogP2.43
Rot. Bonds3

About tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate

tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate (PubChem CID 178170933) has the molecular formula C17H26FN3O4 and a molecular weight of 355.41 g/mol. Its IUPAC name is tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate
PubChem CID178170933
Molecular FormulaC17H26FN3O4
Molecular Weight355.41 g/mol
Exact Mass355.19
IUPAC Nametert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](Oc2cnc(C(C)(C)O)cn2)[C@H](F)C1
InChIInChI=1S/C17H26FN3O4/c1-16(2,3)25-15(22)21-7-6-12(11(18)10-21)24-14-9-19-13(8-20-14)17(4,5)23/h8-9,11-12,23H,6-7,10H2,1-5H3/t11-,12+/m1/s1
InChIKeyIZGICXYRJPGFNC-NEPJUHHUSA-N
XLogP2.43
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate with MolForge

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Related Compounds

2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol
CID 178170942
Tert-butyl 4-(5-(hydroxymethyl)pyrazin-2-yloxy)piperidine-1-carboxylate
CID 68604358
5-(1-(Tert-butoxycarbonyl)piperidin-4-yloxy)pyrazine-2-carboxylic acid
CID 68605879
Tert-butyl 4-[(6-methylpyrazin-2-yl)oxy]piperidine-1-carboxylate
CID 155941356
Tert-butyl 4-(5-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 156325942
Tert-butyl 4-(5-ethynylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 177369963
5-(N-Boc-Piperidin-4-yl)-2-(iso-propoxy)pyrazine
CID 133553226

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate (CID 178170933) is tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](Oc2cnc(C(C)(C)O)cn2)[C@H](F)C1.
What is the InChIKey of tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate?
The InChIKey is IZGICXYRJPGFNC-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H26FN3O4/c1-16(2,3)25-15(22)21-7-6-12(11(18)10-21)24-14-9-19-13(8-20-14)17(4,5)23/h8-9,11-12,23H,6-7,10H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate?
tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate has a molecular weight of 355.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 178170933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).