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

C71H140F10N10O22 — CID 161048711

IUPAC(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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol
SMILESCC(C)(O)[C@H]1CNC[C@@H](O)[C@@H]1O.CC(C)[C@H]1CNC[C@@H](O)[C@@H]1O.CC(F)(F)[C@H]1CNC[C@@H](O)[C@@H]1O.CC1(O)CNC[C@H](CO)[C@H]1O.CC[C@H]1CNC[C@@H](O)[C@@H]1O.OC1CNC[C@H](C2CC2)[C@H]1O.OCC1CNCC(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
InChIInChI=1S/C8H17NO3.C8H15NO2.C8H17NO2.2C7H13F2NO2.C7H14FNO2.C7H15NO3.C7H15NO2.C6H10F3NO2.C6H11F2NO2/c1-8(2,12)5-3-9-4-6(10)7(5)11;10-7-4-9-3-6(8(7)11)5-1-2-5;1-5(2)6-3-9-4-7(10)8(6)11;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;1-2-5-3-8-4-6(9)7(5)10;7-6(8,9)3-1-10-2-4(11)5(3)12;7-6(8)3-9-1-4(2-10)5(6)11/h5-7,9-12H,3-4H2,1-2H3;5-11H,1-4H2;5-11H,3-4H2,1-2H3;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;5-10H,2-4H2,1H3;3-5,10-12H,1-2H2;4-5,9-11H,1-3H2/t5-,6+,7+;6-,7?,8-;6-,7-,8-;4-,5+,6+;4-,5+,7+;5-,6+,7+;5-,6-,7?;5-,6+,7+;3-,4+,5+;4?,5-/m0110001001/s1
InChIKeyUBVOLLKZSLKOBG-AEYMFBNISA-N
MW1675.93 g/mol
LogP-7.60
Rot. Bonds11

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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol (PubChem CID 161048711) has the molecular formula C71H140F10N10O22 and a molecular weight of 1675.93 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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol
PubChem CID161048711
Molecular FormulaC71H140F10N10O22
Molecular Weight1675.93 g/mol
Exact Mass1675.00
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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol
SMILESCC(C)(O)[C@H]1CNC[C@@H](O)[C@@H]1O.CC(C)[C@H]1CNC[C@@H](O)[C@@H]1O.CC(F)(F)[C@H]1CNC[C@@H](O)[C@@H]1O.CC1(O)CNC[C@H](CO)[C@H]1O.CC[C@H]1CNC[C@@H](O)[C@@H]1O.OC1CNC[C@H](C2CC2)[C@H]1O.OCC1CNCC(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
InChIInChI=1S/C8H17NO3.C8H15NO2.C8H17NO2.2C7H13F2NO2.C7H14FNO2.C7H15NO3.C7H15NO2.C6H10F3NO2.C6H11F2NO2/c1-8(2,12)5-3-9-4-6(10)7(5)11;10-7-4-9-3-6(8(7)11)5-1-2-5;1-5(2)6-3-9-4-7(10)8(6)11;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;1-2-5-3-8-4-6(9)7(5)10;7-6(8,9)3-1-10-2-4(11)5(3)12;7-6(8)3-9-1-4(2-10)5(6)11/h5-7,9-12H,3-4H2,1-2H3;5-11H,1-4H2;5-11H,3-4H2,1-2H3;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;5-10H,2-4H2,1H3;3-5,10-12H,1-2H2;4-5,9-11H,1-3H2/t5-,6+,7+;6-,7?,8-;6-,7-,8-;4-,5+,6+;4-,5+,7+;5-,6+,7+;5-,6-,7?;5-,6+,7+;3-,4+,5+;4?,5-/m0110001001/s1
InChIKeyUBVOLLKZSLKOBG-AEYMFBNISA-N
XLogP-7.60
TPSA565.36 Ų
H-Bond Donors32
H-Bond Acceptors32
Rotatable Bonds11
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001675.93
LogP ≤ 5-7.60
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1032

Analyze (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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol with MolForge

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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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol (CID 161048711) 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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-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(F)(F)[C@H]1CNC[C@@H](O)[C@@H]1O.CC1(O)CNC[C@H](CO)[C@H]1O.CC[C@H]1CNC[C@@H](O)[C@@H]1O.OC1CNC[C@H](C2CC2)[C@H]1O.OCC1CNCC(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.
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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol?
The InChIKey is UBVOLLKZSLKOBG-AEYMFBNISA-N. The full InChI is InChI=1S/C8H17NO3.C8H15NO2.C8H17NO2.2C7H13F2NO2.C7H14FNO2.C7H15NO3.C7H15NO2.C6H10F3NO2.C6H11F2NO2/c1-8(2,12)5-3-9-4-6(10)7(5)11;10-7-4-9-3-6(8(7)11)5-1-2-5;1-5(2)6-3-9-4-7(10)8(6)11;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;1-2-5-3-8-4-6(9)7(5)10;7-6(8,9)3-1-10-2-4(11)5(3)12;7-6(8)3-9-1-4(2-10)5(6)11/h5-7,9-12H,3-4H2,1-2H3;5-11H,1-4H2;5-11H,3-4H2,1-2H3;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;5-10H,2-4H2,1H3;3-5,10-12H,1-2H2;4-5,9-11H,1-3H2/t5-,6+,7+;6-,7?,8-;6-,7-,8-;4-,5+,6+;4-,5+,7+;5-,6+,7+;5-,6-,7?;5-,6+,7+;3-,4+,5+;4?,5-/m0110001001/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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol has a molecular weight of 1675.93 g/mol, XLogP of -7.60, 11 rotatable bonds, 32 hydrogen bond donors, and 32 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;(4R,5R)-3,3-difluoro-5-(hydroxymethyl)piperidin-4-ol;(3R,4R,5S)-5-ethylpiperidine-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-(2-hydroxypropan-2-yl)piperidine-3,4-diol;(3R,4R,5S)-5-propan-2-ylpiperidine-3,4-diol;(3R,4R,5S)-5-(trifluoromethyl)piperidine-3,4-diol is sourced from PubChem (CID 161048711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).