(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol

C24H37NO2Si — CID 135001152

IUPAC(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol
SMILESC[C@@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H37NO2Si/c1-20(26)23(19-27-28(5,6)24(2,3)4)25(17-21-13-9-7-10-14-21)18-22-15-11-8-12-16-22/h7-16,20,23,26H,17-19H2,1-6H3/t20-,23+/m1/s1
InChIKeyXLKXMAXYDLHMOW-OFNKIYASSA-N
MW399.65 g/mol
LogP5.46
Rot. Bonds9

About (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol

(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol (PubChem CID 135001152) has the molecular formula C24H37NO2Si and a molecular weight of 399.65 g/mol. Its IUPAC name is (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol
PubChem CID135001152
Molecular FormulaC24H37NO2Si
Molecular Weight399.65 g/mol
Exact Mass399.26
IUPAC Name(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol
SMILESC[C@@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H37NO2Si/c1-20(26)23(19-27-28(5,6)24(2,3)4)25(17-21-13-9-7-10-14-21)18-22-15-11-8-12-16-22/h7-16,20,23,26H,17-19H2,1-6H3/t20-,23+/m1/s1
InChIKeyXLKXMAXYDLHMOW-OFNKIYASSA-N
XLogP5.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.65
LogP ≤ 55.46
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

2-(Benzyl-methyl-amino)-cyclohexanol
CID 13816598
(2R,3R,4R,5S)-2-Hydroxymethyl-1-(3-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 9883791
(2R,3R,4R,5S)-2-Hydroxymethyl-1-(4-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 15389575
(2S)-2-[Bis(phenylmethyl)amino]-3-methyl-1-butanol
CID 10517107
1,3-Bis[benzyl(methyl)amino]propan-2-ol
CID 224691
1-[Benzyl(ethyl)amino]-3-[benzyl(methyl)amino]propan-2-ol
CID 44427658
(S)-(+)-2-(Dibenzylamino)-1-propanol
CID 11436768
(2R,3R,4R,5S)-2-Hydroxymethyl-1-(2-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 15389574
2-Propanol, (1-dibenzylamino)-, hydrochloride
CID 3051471
(S)-2-(N,N-Dibenzylamino)-3-methylbutanol
CID 13949606
2-(Dibenzylamino)-2-methylpropan-1-ol
CID 67135623
1-Benzyl-2-methylpiperidin-3-ol
CID 83848242

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol?
The IUPAC name of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol (CID 135001152) is (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol.
What is the SMILES notation for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol?
The canonical SMILES for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol is C[C@@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol?
The InChIKey is XLKXMAXYDLHMOW-OFNKIYASSA-N. The full InChI is InChI=1S/C24H37NO2Si/c1-20(26)23(19-27-28(5,6)24(2,3)4)25(17-21-13-9-7-10-14-21)18-22-15-11-8-12-16-22/h7-16,20,23,26H,17-19H2,1-6H3/t20-,23+/m1/s1.
What are the key properties of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol?
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol has a molecular weight of 399.65 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol is sourced from PubChem (CID 135001152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).