5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol

C8H17NO3 — CID 123332942

IUPAC5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol
SMILESCC1(C)NCC(O)C(O)C1CO
InChIInChI=1S/C8H17NO3/c1-8(2)5(4-10)7(12)6(11)3-9-8/h5-7,9-12H,3-4H2,1-2H3
InChIKeyVQHFRRBJUIUVOE-UHFFFAOYSA-N
MW175.23 g/mol
LogP-1.30
Rot. Bonds1

About 5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol

5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol (PubChem CID 123332942) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol.

Molecular Properties

Compound Name5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol
PubChem CID123332942
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol
SMILESCC1(C)NCC(O)C(O)C1CO
InChIInChI=1S/C8H17NO3/c1-8(2)5(4-10)7(12)6(11)3-9-8/h5-7,9-12H,3-4H2,1-2H3
InChIKeyVQHFRRBJUIUVOE-UHFFFAOYSA-N
XLogP-1.30
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848
2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol
CID 130126601
(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 164611552
(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
CID 159190224
(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157357410
(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride
CID 51371170
(3S,4R,5S)-5-(hydroxymethyl)piperidine-3,4-diol
CID 10510991
[(2R)-3,3-dimethylmorpholin-2-yl]methanol
CID 129408060
2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten
CID 140623793
(2S,3R,4R,5S)-2-hexyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
CID 164609572
(2S,3R,4R,5S)-2-(hydroxymethyl)-2-nonylpiperidine-3,4,5-triol;hydrochloride
CID 164628094
(3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol
CID 154572787

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol?
The IUPAC name of 5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol (CID 123332942) is 5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol.
What is the SMILES notation for 5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol?
The canonical SMILES for 5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol is CC1(C)NCC(O)C(O)C1CO.
What is the InChIKey of 5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol?
The InChIKey is VQHFRRBJUIUVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2)5(4-10)7(12)6(11)3-9-8/h5-7,9-12H,3-4H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol?
5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol has a molecular weight of 175.23 g/mol, XLogP of -1.30, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol is sourced from PubChem (CID 123332942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).