(3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol

C11H16FN3O — CID 68985294

IUPAC(3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol
SMILESCCc1cnc(N2CC[C@H](O)[C@H](F)C2)nc1
InChIInChI=1S/C11H16FN3O/c1-2-8-5-13-11(14-6-8)15-4-3-10(16)9(12)7-15/h5-6,9-10,16H,2-4,7H2,1H3/t9-,10+/m1/s1
InChIKeyXIBRRRFDRXGGCI-ZJUUUORDSA-N
MW225.27 g/mol
LogP0.95
Rot. Bonds2

About (3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol

(3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol (PubChem CID 68985294) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is (3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol
PubChem CID68985294
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name(3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol
SMILESCCc1cnc(N2CC[C@H](O)[C@H](F)C2)nc1
InChIInChI=1S/C11H16FN3O/c1-2-8-5-13-11(14-6-8)15-4-3-10(16)9(12)7-15/h5-6,9-10,16H,2-4,7H2,1H3/t9-,10+/m1/s1
InChIKeyXIBRRRFDRXGGCI-ZJUUUORDSA-N
XLogP0.95
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol?
The IUPAC name of (3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol (CID 68985294) is (3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol is CCc1cnc(N2CC[C@H](O)[C@H](F)C2)nc1.
What is the InChIKey of (3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol?
The InChIKey is XIBRRRFDRXGGCI-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-8-5-13-11(14-6-8)15-4-3-10(16)9(12)7-15/h5-6,9-10,16H,2-4,7H2,1H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol?
(3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol has a molecular weight of 225.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol is sourced from PubChem (CID 68985294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).