(3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol

C58H109F11N8O17 — CID 158967178

About (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol

(3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol (PubChem CID 158967178) has the molecular formula C58H109F11N8O17 and a molecular weight of 1399.53 g/mol. Its IUPAC name is (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol.

Molecular Properties

• Compound Name: (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol
• PubChem CID: 158967178
• Molecular Formula: C58H109F11N8O17
• Molecular Weight: 1399.53 g/mol
• Exact Mass: 1398.77
• IUPAC Name: (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol
• SMILES: CC(F)(F)[C@H]1CNC[C@@H](O)[C@@H]1O.CC1(O)CNC[C@H](CO)[C@H]1O.CC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1CF.O[C@@H]1[C@@H](CC(F)F)CNC[C@H]1O.O[C@@H]1[C@@H](CCF)CNC[C@H]1O.O[C@H]1[C@H](O)CNC[C@@H]1C(F)(F)F.O[C@H]1[C@H](O)CNC[C@@H]1C1CC1.O[C@H]1[C@H](O)CNC[C@@H]1C1CC1(F)F
• InChI: InChI=1S/C8H13F2NO2.C8H16FNO2.C8H15NO2.2C7H13F2NO2.C7H14FNO2.C7H15NO3.C6H10F3NO2/c9-8(10)1-5(8)4-2-11-3-6(12)7(4)13;1-2-6-5(3-9)8(12)7(11)4-10-6;10-7-4-9-3-6(8(7)11)5-1-2-5;1-7(8,9)4-2-10-3-5(11)6(4)12;8-6(9)1-4-2-10-3-5(11)7(4)12;8-2-1-5-3-9-4-6(10)7(5)11;1-7(11)4-8-2-5(3-9)6(7)10;7-6(8,9)3-1-10-2-4(11)5(3)12/h4-7,11-13H,1-3H2;5-8,10-12H,2-4H2,1H3;5-11H,1-4H2;4-6,10-12H,2-3H2,1H3;4-7,10-12H,1-3H2;5-7,9-11H,1-4H2;5-6,8-11H,2-4H2,1H3;3-5,10-12H,1-2H2/t4-,5?,6-,7-;5-,6-,7+,8+;6-,7-,8-;4-,5+,6+;4-,5+,7+;5-,6+,7+;5-,6-,7?;3-,4+,5+/m10100010/s1
• InChIKey: JNIVFRGNQQJUHQ-JOVRBHBESA-N
• XLogP: -5.15
• TPSA: 440.15 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1399.53
LogP ≤ 5	-5.15
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol?

The IUPAC name of (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol (CID 158967178) is (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol.

What is the SMILES notation for (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol?

The canonical SMILES for (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol is CC(F)(F)[C@H]1CNC[C@@H](O)[C@@H]1O.CC1(O)CNC[C@H](CO)[C@H]1O.CC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1CF.O[C@@H]1[C@@H](CC(F)F)CNC[C@H]1O.O[C@@H]1[C@@H](CCF)CNC[C@H]1O.O[C@H]1[C@H](O)CNC[C@@H]1C(F)(F)F.O[C@H]1[C@H](O)CNC[C@@H]1C1CC1.O[C@H]1[C@H](O)CNC[C@@H]1C1CC1(F)F.

What is the InChIKey of (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol?

The InChIKey is JNIVFRGNQQJUHQ-JOVRBHBESA-N. The full InChI is InChI=1S/C8H13F2NO2.C8H16FNO2.C8H15NO2.2C7H13F2NO2.C7H14FNO2.C7H15NO3.C6H10F3NO2/c9-8(10)1-5(8)4-2-11-3-6(12)7(4)13;1-2-6-5(3-9)8(12)7(11)4-10-6;10-7-4-9-3-6(8(7)11)5-1-2-5;1-7(8,9)4-2-10-3-5(11)6(4)12;8-6(9)1-4-2-10-3-5(11)7(4)12;8-2-1-5-3-9-4-6(10)7(5)11;1-7(11)4-8-2-5(3-9)6(7)10;7-6(8,9)3-1-10-2-4(11)5(3)12/h4-7,11-13H,1-3H2;5-8,10-12H,2-4H2,1H3;5-11H,1-4H2;4-6,10-12H,2-3H2,1H3;4-7,10-12H,1-3H2;5-7,9-11H,1-4H2;5-6,8-11H,2-4H2,1H3;3-5,10-12H,1-2H2/t4-,5?,6-,7-;5-,6-,7+,8+;6-,7-,8-;4-,5+,6+;4-,5+,7+;5-,6+,7+;5-,6-,7?;3-,4+,5+/m10100010/s1.

What are the key properties of (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol?

(3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol has a molecular weight of 1399.53 g/mol, XLogP of -5.15, 10 rotatable bonds, 25 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6S)-6-ethyl-5-(fluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2-fluoroethyl)piperidine-3,4-diol;(4R,5R)-5-(hydroxymethyl)-3-methylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol is sourced from PubChem (CID 158967178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).