(1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol

C10H21NO4 — CID 132605249

IUPAC(1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol
SMILESCC1(C)C[C@H](O)C[C@H]([C@@H](O)[C@H](O)CO)N1
InChIInChI=1S/C10H21NO4/c1-10(2)4-6(13)3-7(11-10)9(15)8(14)5-12/h6-9,11-15H,3-5H2,1-2H3/t6-,7-,8-,9-/m1/s1
InChIKeySNMYHNFLRVFZNI-FNCVBFRFSA-N
MW219.28 g/mol
LogP-1.41
Rot. Bonds3

About (1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol

(1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol (PubChem CID 132605249) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is (1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol
PubChem CID132605249
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name(1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol
SMILESCC1(C)C[C@H](O)C[C@H]([C@@H](O)[C@H](O)CO)N1
InChIInChI=1S/C10H21NO4/c1-10(2)4-6(13)3-7(11-10)9(15)8(14)5-12/h6-9,11-15H,3-5H2,1-2H3/t6-,7-,8-,9-/m1/s1
InChIKeySNMYHNFLRVFZNI-FNCVBFRFSA-N
XLogP-1.41
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-1.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol with MolForge

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Related Compounds

(2r,3r,5s,6r)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol
CID 159496
Alpha-7-Deoxyhomonojirimycin
CID 10921056
Carboxypeptidase A
CID 44395719
(2R,3S,4R,5R,6R)-2-butyl-6-(hydroxymethyl)piperidine-3,4,5-triol
CID 11009466
(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-nonylpiperidine-3,4,5-triol
CID 11150434
(3R,4S,5R,6R)-5-(hydroxymethyl)-6-pentylpiperidine-3,4-diol
CID 122657813
(2R,3R,4R,5S)-2-(hydroxymethyl)-2-pentylpiperidine-3,4,5-triol
CID 164628630
(+)-5-Deoxyadeenophorine
CID 10559165
Isofagomine derivative, 7
CID 57340004
(3R,4R,5R,6S)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol
CID 11300283
(3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol
CID 122657820
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
CID 6475030

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol?
The IUPAC name of (1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol (CID 132605249) is (1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol.
What is the SMILES notation for (1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol?
The canonical SMILES for (1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol is CC1(C)C[C@H](O)C[C@H]([C@@H](O)[C@H](O)CO)N1.
What is the InChIKey of (1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol?
The InChIKey is SNMYHNFLRVFZNI-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2)4-6(13)3-7(11-10)9(15)8(14)5-12/h6-9,11-15H,3-5H2,1-2H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of (1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol?
(1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol has a molecular weight of 219.28 g/mol, XLogP of -1.41, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[(2R,4R)-4-hydroxy-6,6-dimethylpiperidin-2-yl]propane-1,2,3-triol is sourced from PubChem (CID 132605249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).