(2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol

C26H38ClNO3Si — CID 15293955

IUPAC(2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol
SMILESCCCCN1C[C@H](Cl)[C@@H](O)[C@H](O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38ClNO3Si/c1-5-6-17-28-18-22(27)24(29)25(30)23(28)19-31-32(26(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-25,29-30H,5-6,17-19H2,1-4H3/t22-,23+,24+,25+/m0/s1
InChIKeyBUEOJMOFNJWTOM-ZYQDXHPFSA-N
MW476.13 g/mol
LogP3.38
Rot. Bonds8

About (2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol

(2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol (PubChem CID 15293955) has the molecular formula C26H38ClNO3Si and a molecular weight of 476.13 g/mol. Its IUPAC name is (2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol
PubChem CID15293955
Molecular FormulaC26H38ClNO3Si
Molecular Weight476.13 g/mol
Exact Mass475.23
IUPAC Name(2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol
SMILESCCCCN1C[C@H](Cl)[C@@H](O)[C@H](O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38ClNO3Si/c1-5-6-17-28-18-22(27)24(29)25(30)23(28)19-31-32(26(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-25,29-30H,5-6,17-19H2,1-4H3/t22-,23+,24+,25+/m0/s1
InChIKeyBUEOJMOFNJWTOM-ZYQDXHPFSA-N
XLogP3.38
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.13
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol (CID 15293955) is (2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol is CCCCN1C[C@H](Cl)[C@@H](O)[C@H](O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol?
The InChIKey is BUEOJMOFNJWTOM-ZYQDXHPFSA-N. The full InChI is InChI=1S/C26H38ClNO3Si/c1-5-6-17-28-18-22(27)24(29)25(30)23(28)19-31-32(26(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-25,29-30H,5-6,17-19H2,1-4H3/t22-,23+,24+,25+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol?
(2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol has a molecular weight of 476.13 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-chloropiperidine-3,4-diol is sourced from PubChem (CID 15293955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).