(2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol

C8H17NO2 — CID 164537384

IUPAC(2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
SMILESC[C@@H]1CCN(C)[C@H](CO)[C@@H]1O
InChIInChI=1S/C8H17NO2/c1-6-3-4-9(2)7(5-10)8(6)11/h6-8,10-11H,3-5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyXHWSZXAYHKLOPO-BWZBUEFSSA-N
MW159.23 g/mol
LogP-0.32
Rot. Bonds1

About (2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol

(2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol (PubChem CID 164537384) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
PubChem CID164537384
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
SMILESC[C@@H]1CCN(C)[C@H](CO)[C@@H]1O
InChIInChI=1S/C8H17NO2/c1-6-3-4-9(2)7(5-10)8(6)11/h6-8,10-11H,3-5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyXHWSZXAYHKLOPO-BWZBUEFSSA-N
XLogP-0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 20607201
(3-fluoro-1-methylpyrrolidin-2-yl)methanol
CID 163598879
[(2R,3S)-3-methoxy-1-methylpyrrolidin-2-yl]methanol
CID 58778533
(1,3-dimethylpyrrolidin-2-yl)methanamine
CID 58841122
2-(bromomethyl)-1,3-dimethylpyrrolidine
CID 102785593
(2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten
CID 59014492
[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol
CID 102789795
2-[(3R)-1,3-dimethylpyrrolidin-2-yl]acetamide
CID 121479469
ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine
CID 142151943
[1-(2-fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851
(2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine
CID 58149350
1-(1,3-dimethylpyrrolidin-2-yl)-N-methylmethanamine
CID 139356990

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol (CID 164537384) is (2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol is C[C@@H]1CCN(C)[C@H](CO)[C@@H]1O.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol?
The InChIKey is XHWSZXAYHKLOPO-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6-3-4-9(2)7(5-10)8(6)11/h6-8,10-11H,3-5H2,1-2H3/t6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol?
(2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol has a molecular weight of 159.23 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol is sourced from PubChem (CID 164537384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).