(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol

C12H27NO2Si — CID 100975570

IUPAC(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol
SMILESCN1C[C@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C12H27NO2Si/c1-12(2,3)16(5,6)15-11-7-10(14)8-13(4)9-11/h10-11,14H,7-9H2,1-6H3/t10-,11-/m1/s1
InChIKeyGOOQLVDCZQLZTK-GHMZBOCLSA-N
MW245.44 g/mol
LogP2.07
Rot. Bonds2

About (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol

(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol (PubChem CID 100975570) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol
PubChem CID100975570
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC Name(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol
SMILESCN1C[C@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C12H27NO2Si/c1-12(2,3)16(5,6)15-11-7-10(14)8-13(4)9-11/h10-11,14H,7-9H2,1-6H3/t10-,11-/m1/s1
InChIKeyGOOQLVDCZQLZTK-GHMZBOCLSA-N
XLogP2.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
CID 14172793
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol
CID 145222779
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane
CID 141203202
[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidin-1-yl]-methylborinic acid
CID 140638127
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
tert-butyl-(1-hydroxypyrrolidin-3-yl)oxy-dimethylsilane
CID 85204387
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol
CID 171781505

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol?
The IUPAC name of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol (CID 100975570) is (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol?
The canonical SMILES for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol is CN1C[C@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol?
The InChIKey is GOOQLVDCZQLZTK-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-12(2,3)16(5,6)15-11-7-10(14)8-13(4)9-11/h10-11,14H,7-9H2,1-6H3/t10-,11-/m1/s1.
What are the key properties of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol?
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol has a molecular weight of 245.44 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol is sourced from PubChem (CID 100975570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).