2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol

C12H18FN3O2 — CID 178170942

IUPAC2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(O[C@H]2CCNC[C@H]2F)cn1
InChIInChI=1S/C12H18FN3O2/c1-12(2,17)10-6-16-11(7-15-10)18-9-3-4-14-5-8(9)13/h6-9,14,17H,3-5H2,1-2H3/t8-,9+/m1/s1
InChIKeyHBQDCYWIKCUDIY-BDAKNGLRSA-N
MW255.29 g/mol
LogP0.78
Rot. Bonds3

About 2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol

2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol (PubChem CID 178170942) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol
PubChem CID178170942
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(O[C@H]2CCNC[C@H]2F)cn1
InChIInChI=1S/C12H18FN3O2/c1-12(2,17)10-6-16-11(7-15-10)18-9-3-4-14-5-8(9)13/h6-9,14,17H,3-5H2,1-2H3/t8-,9+/m1/s1
InChIKeyHBQDCYWIKCUDIY-BDAKNGLRSA-N
XLogP0.78
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
CID 171558092
tert-butyl (3R,4S)-3-fluoro-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]oxypiperidine-1-carboxylate
CID 178170933
2-Ethyl-6-piperidin-4-yloxypyrazine
CID 54401866
2-Tert-butyl-6-piperidin-4-yloxypyrazine
CID 58523692
2-Tert-butyl-5-piperidin-4-yloxypyrazine
CID 58523813
2-Ethyl-5-piperidin-4-yloxypyrazine
CID 68166298
2-Methyl-6-(piperidin-4-yloxy)pyrazine
CID 89774399
2-Methyl-5-(piperidin-4-yloxy)pyrazine
CID 89777923
1-[5-(2,2-Diethylbutoxy)pyrazin-2-yl]ethanol
CID 91591369
[6-(1-Methylpiperidin-4-yl)oxypyrazin-2-yl]methanol
CID 66466403
[5-(1-Methylpiperidin-4-yl)oxypyrazin-2-yl]methanol
CID 107373176
5-(3,3-Dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine
CID 112747102

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol (CID 178170942) is 2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol is CC(C)(O)c1cnc(O[C@H]2CCNC[C@H]2F)cn1.
What is the InChIKey of 2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol?
The InChIKey is HBQDCYWIKCUDIY-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-12(2,17)10-6-16-11(7-15-10)18-9-3-4-14-5-8(9)13/h6-9,14,17H,3-5H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of 2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol?
2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol has a molecular weight of 255.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol is sourced from PubChem (CID 178170942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).