(3R,4R,5S)-5-cyclopropylpiperidine-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)-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

C42H80F8N6O13 — CID 159942247

About (3R,4R,5S)-5-cyclopropylpiperidine-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)-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-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)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 159942247) has the molecular formula C42H80F8N6O13 and a molecular weight of 1029.11 g/mol. Its IUPAC name is (3R,4R,5S)-5-cyclopropylpiperidine-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)-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-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)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: 159942247
• Molecular Formula: C42H80F8N6O13
• Molecular Weight: 1029.11 g/mol
• Exact Mass: 1028.57
• IUPAC Name: (3R,4R,5S)-5-cyclopropylpiperidine-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)-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)CNCC(CO)[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/C8H15NO2.2C7H13F2NO2.C7H14FNO2.C7H15NO3.C6H10F3NO2/c10-7-4-9-3-6(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/h5-11H,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/t6-,7-,8-;4-,5+,6+;4-,5+,7+;5-,6+,7+;5?,6-,7?;3-,4+,5+/m100010/s1
• InChIKey: OBAJDNOWPKGOLJ-DEBQGVIFSA-N
• XLogP: -4.41
• TPSA: 335.17 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.11
LogP ≤ 5	-4.41
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-cyclopropylpiperidine-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)-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-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)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 159942247) is (3R,4R,5S)-5-cyclopropylpiperidine-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)-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-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)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-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)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)CNCC(CO)[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-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)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 OBAJDNOWPKGOLJ-DEBQGVIFSA-N. The full InChI is InChI=1S/C8H15NO2.2C7H13F2NO2.C7H14FNO2.C7H15NO3.C6H10F3NO2/c10-7-4-9-3-6(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/h5-11H,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/t6-,7-,8-;4-,5+,6+;4-,5+,7+;5-,6+,7+;5?,6-,7?;3-,4+,5+/m100010/s1.

What are the key properties of (3R,4R,5S)-5-cyclopropylpiperidine-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)-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-(1,1-difluoroethyl)piperidine-3,4-diol;(3R,4R,5S)-5-(2,2-difluoroethyl)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 1029.11 g/mol, XLogP of -4.41, 7 rotatable bonds, 19 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R,5S)-5-cyclopropylpiperidine-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)-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 159942247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).