(3R,4R,5S)-5-benzylpiperidine-3,4-diol

C12H17NO2 — CID 51356184

IUPAC(3R,4R,5S)-5-benzylpiperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Cc2ccccc2)CNC[C@H]1O
InChIInChI=1S/C12H17NO2/c14-11-8-13-7-10(12(11)15)6-9-4-2-1-3-5-9/h1-5,10-15H,6-8H2/t10-,11+,12+/m0/s1
InChIKeyWUEAMJOBFYKMLP-QJPTWQEYSA-N
MW207.27 g/mol
LogP0.17
Rot. Bonds2

About (3R,4R,5S)-5-benzylpiperidine-3,4-diol

(3R,4R,5S)-5-benzylpiperidine-3,4-diol (PubChem CID 51356184) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3R,4R,5S)-5-benzylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-5-benzylpiperidine-3,4-diol
PubChem CID51356184
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3R,4R,5S)-5-benzylpiperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Cc2ccccc2)CNC[C@H]1O
InChIInChI=1S/C12H17NO2/c14-11-8-13-7-10(12(11)15)6-9-4-2-1-3-5-9/h1-5,10-15H,6-8H2/t10-,11+,12+/m0/s1
InChIKeyWUEAMJOBFYKMLP-QJPTWQEYSA-N
XLogP0.17
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzyl-4-piperidinol
CID 98152
(3R,4R,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol
CID 9860102
4-Phenylpiperidine-4-methanol
CID 77896
(3S,4R)-4-(4-Fluorophenyl)-3-piperidinemethanol
CID 9855829
Threo-ritalinol hydrochloride
CID 10726933
(2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol
CID 166524493
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-(4-phenylbutyl)pyrrolidine-3,4-diol
CID 52939605
(1S)-2-(3-phenylpropoxy)-1-[(2R)-piperidin-2-yl]ethanol
CID 14201550
(1S)-2-(3-phenylpropoxy)-1-[(2S)-piperidin-2-yl]ethanol
CID 21595423
2,2-Dioxo-6-(2-phenylethyl)-4-prop-2-enyloxathiazinan-5-ol
CID 24761798
(2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol
CID 73292087
(3R,4S,5R,6R)-5-(hydroxymethyl)-6-(2-phenylethyl)piperidine-3,4-diol
CID 145991014

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-benzylpiperidine-3,4-diol?
The IUPAC name of (3R,4R,5S)-5-benzylpiperidine-3,4-diol (CID 51356184) is (3R,4R,5S)-5-benzylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-5-benzylpiperidine-3,4-diol?
The canonical SMILES for (3R,4R,5S)-5-benzylpiperidine-3,4-diol is O[C@@H]1[C@@H](Cc2ccccc2)CNC[C@H]1O.
What is the InChIKey of (3R,4R,5S)-5-benzylpiperidine-3,4-diol?
The InChIKey is WUEAMJOBFYKMLP-QJPTWQEYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-11-8-13-7-10(12(11)15)6-9-4-2-1-3-5-9/h1-5,10-15H,6-8H2/t10-,11+,12+/m0/s1.
What are the key properties of (3R,4R,5S)-5-benzylpiperidine-3,4-diol?
(3R,4R,5S)-5-benzylpiperidine-3,4-diol has a molecular weight of 207.27 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-benzylpiperidine-3,4-diol is sourced from PubChem (CID 51356184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).