(3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol

C9H19NO3 — CID 59882466

IUPAC(3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol
SMILESCN1CC(CO)[C@H](O)[C@H](O)C1(C)C
InChIInChI=1S/C9H19NO3/c1-9(2)8(13)7(12)6(5-11)4-10(9)3/h6-8,11-13H,4-5H2,1-3H3/t6?,7-,8-/m0/s1
InChIKeyDHIPIBLEPXUBNN-ALKRTJFJSA-N
MW189.25 g/mol
LogP-0.96
Rot. Bonds1

About (3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol

(3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol (PubChem CID 59882466) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol
PubChem CID59882466
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol
SMILESCN1CC(CO)[C@H](O)[C@H](O)C1(C)C
InChIInChI=1S/C9H19NO3/c1-9(2)8(13)7(12)6(5-11)4-10(9)3/h6-8,11-13H,4-5H2,1-3H3/t6?,7-,8-/m0/s1
InChIKeyDHIPIBLEPXUBNN-ALKRTJFJSA-N
XLogP-0.96
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol?
The IUPAC name of (3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol (CID 59882466) is (3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol?
The canonical SMILES for (3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol is CN1CC(CO)[C@H](O)[C@H](O)C1(C)C.
What is the InChIKey of (3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol?
The InChIKey is DHIPIBLEPXUBNN-ALKRTJFJSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2)8(13)7(12)6(5-11)4-10(9)3/h6-8,11-13H,4-5H2,1-3H3/t6?,7-,8-/m0/s1.
What are the key properties of (3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol?
(3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol has a molecular weight of 189.25 g/mol, XLogP of -0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-5-(hydroxymethyl)-1,2,2-trimethylpiperidine-3,4-diol is sourced from PubChem (CID 59882466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).