(2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol

C8H17NO3 — CID 131020224

IUPAC(2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol
SMILESOC[C@H](O)C[C@@H]1NCCC[C@H]1O
InChIInChI=1S/C8H17NO3/c10-5-6(11)4-7-8(12)2-1-3-9-7/h6-12H,1-5H2/t6-,7+,8-/m1/s1
InChIKeyCGBVOVKOKKRICO-GJMOJQLCSA-N
MW175.23 g/mol
LogP-1.16
Rot. Bonds3

About (2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol

(2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol (PubChem CID 131020224) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol
PubChem CID131020224
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol
SMILESOC[C@H](O)C[C@@H]1NCCC[C@H]1O
InChIInChI=1S/C8H17NO3/c10-5-6(11)4-7-8(12)2-1-3-9-7/h6-12H,1-5H2/t6-,7+,8-/m1/s1
InChIKeyCGBVOVKOKKRICO-GJMOJQLCSA-N
XLogP-1.16
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyrrolidin-2-ylpropane-1,2-diol
CID 67326252
(2S,3S)-2-prop-2-enylpiperidin-3-ol
CID 55287221
2-(3-hydroxypropyl)piperidin-3-ol
CID 67216192
2-ethylpiperidin-3-ol;hydrochloride
CID 115013101
1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one
CID 130847336
(2S,3S)-2-butylpiperidin-3-ol
CID 102039830
(2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol
CID 126716029
propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate
CID 86711776
(2R,3S)-2-[3-(5-bromo-4-methylbenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol
CID 126716041
(2R)-2-(hydroxymethyl)pyrrolidin-3-ol
CID 54340286
2-benzylpiperidin-3-ol;hydrochloride
CID 115036439
3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 82850475

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol (CID 131020224) is (2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol is OC[C@H](O)C[C@@H]1NCCC[C@H]1O.
What is the InChIKey of (2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol?
The InChIKey is CGBVOVKOKKRICO-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H17NO3/c10-5-6(11)4-7-8(12)2-1-3-9-7/h6-12H,1-5H2/t6-,7+,8-/m1/s1.
What are the key properties of (2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol?
(2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol has a molecular weight of 175.23 g/mol, XLogP of -1.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol is sourced from PubChem (CID 131020224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).