(3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol

C13H17F2NO2 — CID 126703574

IUPAC(3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol
SMILESO[C@@H]1CN(Cc2ccccc2)CC(C(F)F)[C@H]1O
InChIInChI=1S/C13H17F2NO2/c14-13(15)10-7-16(8-11(17)12(10)18)6-9-4-2-1-3-5-9/h1-5,10-13,17-18H,6-8H2/t10?,11-,12-/m1/s1
InChIKeyRKBNJMKGNYNQOD-PQDIPPBSSA-N
MW257.28 g/mol
LogP1.11
Rot. Bonds3

About (3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol

(3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol (PubChem CID 126703574) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol
PubChem CID126703574
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name(3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol
SMILESO[C@@H]1CN(Cc2ccccc2)CC(C(F)F)[C@H]1O
InChIInChI=1S/C13H17F2NO2/c14-13(15)10-7-16(8-11(17)12(10)18)6-9-4-2-1-3-5-9/h1-5,10-13,17-18H,6-8H2/t10?,11-,12-/m1/s1
InChIKeyRKBNJMKGNYNQOD-PQDIPPBSSA-N
XLogP1.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3S,4R)-1-benzyl-4-(difluoromethyl)pyrrolidin-3-amine
CID 146050042
1-benzyl-5-(difluoromethyl)piperidin-3-ol
CID 126716011
1-benzyl-3-(difluoromethyl)-4-nitropyrrolidine
CID 89456766
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol
CID 159538331
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol (CID 126703574) is (3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol is O[C@@H]1CN(Cc2ccccc2)CC(C(F)F)[C@H]1O.
What is the InChIKey of (3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol?
The InChIKey is RKBNJMKGNYNQOD-PQDIPPBSSA-N. The full InChI is InChI=1S/C13H17F2NO2/c14-13(15)10-7-16(8-11(17)12(10)18)6-9-4-2-1-3-5-9/h1-5,10-13,17-18H,6-8H2/t10?,11-,12-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol?
(3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol has a molecular weight of 257.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol is sourced from PubChem (CID 126703574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).