(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol

C16H30N2O4 — CID 28962130

IUPAC(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol
SMILESOC[C@@H]1O[C@H](CNC2CCOCC2)[C@H](N2CCCCC2)[C@@H]1O
InChIInChI=1S/C16H30N2O4/c19-11-14-16(20)15(18-6-2-1-3-7-18)13(22-14)10-17-12-4-8-21-9-5-12/h12-17,19-20H,1-11H2/t13-,14+,15+,16-/m1/s1
InChIKeyCRZPOKMEBIHMSR-FXUDXRNXSA-N
MW314.43 g/mol
LogP-0.27
Rot. Bonds5

About (2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol

(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol (PubChem CID 28962130) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol
PubChem CID28962130
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol
SMILESOC[C@@H]1O[C@H](CNC2CCOCC2)[C@H](N2CCCCC2)[C@@H]1O
InChIInChI=1S/C16H30N2O4/c19-11-14-16(20)15(18-6-2-1-3-7-18)13(22-14)10-17-12-4-8-21-9-5-12/h12-17,19-20H,1-11H2/t13-,14+,15+,16-/m1/s1
InChIKeyCRZPOKMEBIHMSR-FXUDXRNXSA-N
XLogP-0.27
TPSA74.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol with MolForge

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[1-(hydroxymethyl)propylamino]methyl]tetrahydrofuran-3,4-diol
CID 479075
(2R,3S,4S,5R)-2-[(cyclohexylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585227
(2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585235
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]oxolane-3,4-diol
CID 44585240
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-((pentan-2-ylamino)methyl)-tetrahydrofuran-3,4-diol
CID 44585427
Ethambutol-arabinose hybrid
CID 456902
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-[[[(1S)-1-(hydroxymethyl)propyl]amino]methyl]tetrahydrofuran-3,4-diol
CID 456903
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-[[1-(hydroxymethyl)propylamino]methyl]tetrahydrofuran-3,4-diol
CID 478939
(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(piperidin-1-yl)tetrahydrofuran-3-ol
CID 28962087
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[[(1-methylpiperidin-4-yl)amino]methyl]-4-morpholin-4-yloxolan-3-ol
CID 28961318
(2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(propan-2-ylamino)methyl]oxolan-3-ol
CID 28961377
(2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol
CID 28961395

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol?
The IUPAC name of (2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol (CID 28962130) is (2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol.
What is the SMILES notation for (2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol?
The canonical SMILES for (2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol is OC[C@@H]1O[C@H](CNC2CCOCC2)[C@H](N2CCCCC2)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol?
The InChIKey is CRZPOKMEBIHMSR-FXUDXRNXSA-N. The full InChI is InChI=1S/C16H30N2O4/c19-11-14-16(20)15(18-6-2-1-3-7-18)13(22-14)10-17-12-4-8-21-9-5-12/h12-17,19-20H,1-11H2/t13-,14+,15+,16-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol?
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol has a molecular weight of 314.43 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol is sourced from PubChem (CID 28962130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).