(2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol

C7H15NO3 — CID 118719203

IUPAC(2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol
SMILESC[C@@H]1NC[C@@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15NO3/c1-4-6(10)7(11)5(3-9)2-8-4/h4-11H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1
InChIKeyNZPKJUPKMZLFQP-VWDOSNQTSA-N
MW161.20 g/mol
LogP-1.69
Rot. Bonds1

About (2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol

(2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol (PubChem CID 118719203) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol
PubChem CID118719203
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol
SMILESC[C@@H]1NC[C@@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15NO3/c1-4-6(10)7(11)5(3-9)2-8-4/h4-11H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1
InChIKeyNZPKJUPKMZLFQP-VWDOSNQTSA-N
XLogP-1.69
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol?
The IUPAC name of (2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol (CID 118719203) is (2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol?
The canonical SMILES for (2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol is C[C@@H]1NC[C@@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol?
The InChIKey is NZPKJUPKMZLFQP-VWDOSNQTSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-6(10)7(11)5(3-9)2-8-4/h4-11H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1.
What are the key properties of (2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol?
(2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol has a molecular weight of 161.20 g/mol, XLogP of -1.69, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-5-(hydroxymethyl)-2-methylpiperidine-3,4-diol is sourced from PubChem (CID 118719203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).