(2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium)

C11H23NO3Y2 — CID 172518109

IUPAC(2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium)
SMILESCO[C@@H]1CCN(C(C)(C)C)[C@H](CO)[C@H]1O.[Y].[Y]
InChIInChI=1S/C11H23NO3.2Y/c1-11(2,3)12-6-5-9(15-4)10(14)8(12)7-13;;/h8-10,13-14H,5-7H2,1-4H3;;/t8-,9-,10-;;/m1../s1
InChIKeyIVMZPTKHPBWNKN-FVGMZYTHSA-N
MW395.12 g/mol
LogP0.22
Rot. Bonds2

About (2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium)

(2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium) (PubChem CID 172518109) has the molecular formula C11H23NO3Y2 and a molecular weight of 395.12 g/mol. Its IUPAC name is (2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium).

Molecular Properties

Compound Name(2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium)
PubChem CID172518109
Molecular FormulaC11H23NO3Y2
Molecular Weight395.12 g/mol
Exact Mass394.98
IUPAC Name(2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium)
SMILESCO[C@@H]1CCN(C(C)(C)C)[C@H](CO)[C@H]1O.[Y].[Y]
InChIInChI=1S/C11H23NO3.2Y/c1-11(2,3)12-6-5-9(15-4)10(14)8(12)7-13;;/h8-10,13-14H,5-7H2,1-4H3;;/t8-,9-,10-;;/m1../s1
InChIKeyIVMZPTKHPBWNKN-FVGMZYTHSA-N
XLogP0.22
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.12
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 130313759
[(2R,3S)-3-methoxy-1-methylpyrrolidin-2-yl]methanol
CID 58778533
1-tert-butyl-2-(methoxymethyl)azetidine
CID 14509066
(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol
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1-tert-butyl-3,4-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 172518189
N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 174082941
[1-(1-amino-2-methylpropan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102777698
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol
CID 154309422
1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 164706292
(1-tert-butylazepan-2-yl)methanol
CID 84660252

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium)?
The IUPAC name of (2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium) (CID 172518109) is (2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium).
What is the SMILES notation for (2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium)?
The canonical SMILES for (2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium) is CO[C@@H]1CCN(C(C)(C)C)[C@H](CO)[C@H]1O.[Y].[Y].
What is the InChIKey of (2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium)?
The InChIKey is IVMZPTKHPBWNKN-FVGMZYTHSA-N. The full InChI is InChI=1S/C11H23NO3.2Y/c1-11(2,3)12-6-5-9(15-4)10(14)8(12)7-13;;/h8-10,13-14H,5-7H2,1-4H3;;/t8-,9-,10-;;/m1../s1.
What are the key properties of (2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium)?
(2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium) has a molecular weight of 395.12 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium) is sourced from PubChem (CID 172518109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).