(3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol

C12H17NO3 — CID 71073983

IUPAC(3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H]([C@H](O)c2ccccc2)CNC[C@H]1O
InChIInChI=1S/C12H17NO3/c14-10-7-13-6-9(12(10)16)11(15)8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9-,10-,11-,12-/m1/s1
InChIKeyAQILKYRWFPWHAA-DDHJBXDOSA-N
MW223.27 g/mol
LogP-0.34
Rot. Bonds2

About (3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol

(3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol (PubChem CID 71073983) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol
PubChem CID71073983
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H]([C@H](O)c2ccccc2)CNC[C@H]1O
InChIInChI=1S/C12H17NO3/c14-10-7-13-6-9(12(10)16)11(15)8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9-,10-,11-,12-/m1/s1
InChIKeyAQILKYRWFPWHAA-DDHJBXDOSA-N
XLogP-0.34
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol?
The IUPAC name of (3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol (CID 71073983) is (3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol is O[C@@H]1[C@@H]([C@H](O)c2ccccc2)CNC[C@H]1O.
What is the InChIKey of (3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol?
The InChIKey is AQILKYRWFPWHAA-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H17NO3/c14-10-7-13-6-9(12(10)16)11(15)8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9-,10-,11-,12-/m1/s1.
What are the key properties of (3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol?
(3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol has a molecular weight of 223.27 g/mol, XLogP of -0.34, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]piperidine-3,4-diol is sourced from PubChem (CID 71073983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).