(2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol

C14H28N2O3 — CID 28962406

IUPAC(2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol
SMILESCC1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CN(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-10-4-6-16(7-5-10)13-11(8-15(2)3)19-12(9-17)14(13)18/h10-14,17-18H,4-9H2,1-3H3/t11-,12+,13+,14-/m1/s1
InChIKeyLIDOBJLELNGKTO-ZOBORPQBSA-N
MW272.39 g/mol
LogP-0.23
Rot. Bonds4

About (2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol

(2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol (PubChem CID 28962406) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol
PubChem CID28962406
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name(2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol
SMILESCC1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CN(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-10-4-6-16(7-5-10)13-11(8-15(2)3)19-12(9-17)14(13)18/h10-14,17-18H,4-9H2,1-3H3/t11-,12+,13+,14-/m1/s1
InChIKeyLIDOBJLELNGKTO-ZOBORPQBSA-N
XLogP-0.23
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol?
The IUPAC name of (2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol (CID 28962406) is (2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol.
What is the SMILES notation for (2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol?
The canonical SMILES for (2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol is CC1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CN(C)C)CC1.
What is the InChIKey of (2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol?
The InChIKey is LIDOBJLELNGKTO-ZOBORPQBSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10-4-6-16(7-5-10)13-11(8-15(2)3)19-12(9-17)14(13)18/h10-14,17-18H,4-9H2,1-3H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol?
(2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol has a molecular weight of 272.39 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol is sourced from PubChem (CID 28962406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).