(3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol

C15H33NO4Si — CID 173332684

IUPAC(3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol
SMILESCC(CCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1CO)[Si](C)(C)C
InChIInChI=1S/C15H33NO4Si/c1-11(21(2,3)4)7-5-6-8-16-9-13(18)15(20)14(19)12(16)10-17/h11-15,17-20H,5-10H2,1-4H3/t11?,12?,13-,14+,15+/m0/s1
InChIKeyDQPGZJVIAXGBBN-MMCPYJTDSA-N
MW319.52 g/mol
LogP0.64
Rot. Bonds7

About (3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol

(3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol (PubChem CID 173332684) has the molecular formula C15H33NO4Si and a molecular weight of 319.52 g/mol. Its IUPAC name is (3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol
PubChem CID173332684
Molecular FormulaC15H33NO4Si
Molecular Weight319.52 g/mol
Exact Mass319.22
IUPAC Name(3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol
SMILESCC(CCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1CO)[Si](C)(C)C
InChIInChI=1S/C15H33NO4Si/c1-11(21(2,3)4)7-5-6-8-16-9-13(18)15(20)14(19)12(16)10-17/h11-15,17-20H,5-10H2,1-4H3/t11?,12?,13-,14+,15+/m0/s1
InChIKeyDQPGZJVIAXGBBN-MMCPYJTDSA-N
XLogP0.64
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol?
The IUPAC name of (3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol (CID 173332684) is (3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol.
What is the SMILES notation for (3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol?
The canonical SMILES for (3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol is CC(CCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1CO)[Si](C)(C)C.
What is the InChIKey of (3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol?
The InChIKey is DQPGZJVIAXGBBN-MMCPYJTDSA-N. The full InChI is InChI=1S/C15H33NO4Si/c1-11(21(2,3)4)7-5-6-8-16-9-13(18)15(20)14(19)12(16)10-17/h11-15,17-20H,5-10H2,1-4H3/t11?,12?,13-,14+,15+/m0/s1.
What are the key properties of (3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol?
(3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol has a molecular weight of 319.52 g/mol, XLogP of 0.64, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-2-(hydroxymethyl)-1-(5-trimethylsilylhexyl)piperidine-3,4,5-triol is sourced from PubChem (CID 173332684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).