(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol

C43H88F4N6O13 — CID 162024910

About (4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol

(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol (PubChem CID 162024910) has the molecular formula C43H88F4N6O13 and a molecular weight of 973.20 g/mol. Its IUPAC name is (4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol.

Molecular Properties

• Compound Name: (4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol
• PubChem CID: 162024910
• Molecular Formula: C43H88F4N6O13
• Molecular Weight: 973.20 g/mol
• Exact Mass: 972.63
• IUPAC Name: (4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol
• SMILES: CC(C)(O)[C@H]1CNC[C@@H](O)[C@@H]1O.CC(C)[C@H]1CNC[C@@H](O)[C@@H]1O.CC[C@H]1CNC[C@@H](O)[C@@H]1O.C[C@@H](F)[C@H]1CNC[C@@H](O)[C@@H]1O.C[C@H](F)[C@H]1CNC[C@@H](O)[C@@H]1O.OC[C@H]1CNCC(F)(F)[C@@H]1O
• InChI: InChI=1S/C8H17NO3.C8H17NO2.2C7H14FNO2.C7H15NO2.C6H11F2NO2/c1-8(2,12)5-3-9-4-6(10)7(5)11;1-5(2)6-3-9-4-7(10)8(6)11;2*1-4(8)5-2-9-3-6(10)7(5)11;1-2-5-3-8-4-6(9)7(5)10;7-6(8)3-9-1-4(2-10)5(6)11/h5-7,9-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3;2*4-7,9-11H,2-3H2,1H3;5-10H,2-4H2,1H3;4-5,9-11H,1-3H2/t5-,6+,7+;6-,7-,8-;4-,5+,6+,7+;4-,5-,6-,7-;5-,6+,7+;4-,5-/m010101/s1
• InChIKey: YVFXZQGQZVHUKV-KOTROZDNSA-N
• XLogP: -4.61
• TPSA: 335.17 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	973.20
LogP ≤ 5	-4.61
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol?

The IUPAC name of (4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol (CID 162024910) is (4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol.

What is the SMILES notation for (4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol?

The canonical SMILES for (4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol is CC(C)(O)[C@H]1CNC[C@@H](O)[C@@H]1O.CC(C)[C@H]1CNC[C@@H](O)[C@@H]1O.CC[C@H]1CNC[C@@H](O)[C@@H]1O.C[C@@H](F)[C@H]1CNC[C@@H](O)[C@@H]1O.C[C@H](F)[C@H]1CNC[C@@H](O)[C@@H]1O.OC[C@H]1CNCC(F)(F)[C@@H]1O.

What is the InChIKey of (4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol?

The InChIKey is YVFXZQGQZVHUKV-KOTROZDNSA-N. The full InChI is InChI=1S/C8H17NO3.C8H17NO2.2C7H14FNO2.C7H15NO2.C6H11F2NO2/c1-8(2,12)5-3-9-4-6(10)7(5)11;1-5(2)6-3-9-4-7(10)8(6)11;2*1-4(8)5-2-9-3-6(10)7(5)11;1-2-5-3-8-4-6(9)7(5)10;7-6(8)3-9-1-4(2-10)5(6)11/h5-7,9-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3;2*4-7,9-11H,2-3H2,1H3;5-10H,2-4H2,1H3;4-5,9-11H,1-3H2/t5-,6+,7+;6-,7-,8-;4-,5+,6+,7+;4-,5-,6-,7-;5-,6+,7+;4-,5-/m010101/s1.

What are the key properties of (4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol?

(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol has a molecular weight of 973.20 g/mol, XLogP of -4.61, 6 rotatable bonds, 19 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-3,4-diol;(3R,4R,5S)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol;(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol is sourced from PubChem (CID 162024910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).