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

C52H97F10N7O14 — CID 160876857

About (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(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-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol (PubChem CID 160876857) has the molecular formula C52H97F10N7O14 and a molecular weight of 1234.36 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-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(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-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol
• PubChem CID: 160876857
• Molecular Formula: C52H97F10N7O14
• Molecular Weight: 1234.36 g/mol
• Exact Mass: 1233.69
• 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-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol
• SMILES: CC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1CF.CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1CF.OC1CNC[C@H](C2CC2(F)F)[C@H]1O.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
• InChI: InChI=1S/C8H13F2NO2.2C8H16FNO2.C8H15NO2.C7H13F2NO2.C7H14FNO2.C6H10F3NO2/c9-8(10)1-5(8)4-2-11-3-6(12)7(4)13;2*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;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;7-6(8,9)3-1-10-2-4(11)5(3)12/h4-7,11-13H,1-3H2;2*5-8,10-12H,2-4H2,1H3;5-11H,1-4H2;4-7,10-12H,1-3H2;5-7,9-11H,1-4H2;3-5,10-12H,1-2H2/t4-,5?,6?,7-;5-,6+,7+,8+;5-,6-,7+,8+;6-,7-,8-;4-,5+,7+;5-,6+,7+;3-,4+,5+/m1001000/s1
• InChIKey: SMMWDVRZURDYEL-JEGIDPKDSA-N
• XLogP: -3.37
• TPSA: 367.43 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1234.36
LogP ≤ 5	-3.37
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	21

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-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(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-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol (CID 160876857) is (3R,4R,5S)-5-cyclopropylpiperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(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-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(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-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol is CC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1CF.CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1CF.OC1CNC[C@H](C2CC2(F)F)[C@H]1O.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.

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-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol?

The InChIKey is SMMWDVRZURDYEL-JEGIDPKDSA-N. The full InChI is InChI=1S/C8H13F2NO2.2C8H16FNO2.C8H15NO2.C7H13F2NO2.C7H14FNO2.C6H10F3NO2/c9-8(10)1-5(8)4-2-11-3-6(12)7(4)13;2*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;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;7-6(8,9)3-1-10-2-4(11)5(3)12/h4-7,11-13H,1-3H2;2*5-8,10-12H,2-4H2,1H3;5-11H,1-4H2;4-7,10-12H,1-3H2;5-7,9-11H,1-4H2;3-5,10-12H,1-2H2/t4-,5?,6?,7-;5-,6+,7+,8+;5-,6-,7+,8+;6-,7-,8-;4-,5+,7+;5-,6+,7+;3-,4+,5+/m1001000/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-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(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-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol has a molecular weight of 1234.36 g/mol, XLogP of -3.37, 10 rotatable bonds, 21 hydrogen bond donors, and 21 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-(2,2-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-6-ethyl-5-(fluoromethyl)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;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol is sourced from PubChem (CID 160876857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).