[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone

C18H30N2O4Si — CID 152643148

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCOC[C@H]1CO
InChIInChI=1S/C18H30N2O4Si/c1-18(2,3)25(4,5)24-13-16-15(7-6-8-19-16)17(22)20-9-10-23-12-14(20)11-21/h6-8,14,21H,9-13H2,1-5H3/t14-/m1/s1
InChIKeyZFZKDVMCCOIABC-CQSZACIVSA-N
MW366.53 g/mol
LogP2.44
Rot. Bonds5

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 152643148) has the molecular formula C18H30N2O4Si and a molecular weight of 366.53 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID152643148
Molecular FormulaC18H30N2O4Si
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCOC[C@H]1CO
InChIInChI=1S/C18H30N2O4Si/c1-18(2,3)25(4,5)24-13-16-15(7-6-8-19-16)17(22)20-9-10-23-12-14(20)11-21/h6-8,14,21H,9-13H2,1-5H3/t14-/m1/s1
InChIKeyZFZKDVMCCOIABC-CQSZACIVSA-N
XLogP2.44
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile
CID 146567627
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxy-2-methylpropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567643
2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde
CID 160588259
[2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 167530878
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxypropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567615
ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate
CID 151293297
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde
CID 146464591
ethanesulfonic acid;2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 175505929
2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde;sulfuric acid
CID 175505949
2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83842677

Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone (CID 152643148) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone is CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCOC[C@H]1CO.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is ZFZKDVMCCOIABC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N2O4Si/c1-18(2,3)25(4,5)24-13-16-15(7-6-8-19-16)17(22)20-9-10-23-12-14(20)11-21/h6-8,14,21H,9-13H2,1-5H3/t14-/m1/s1.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 366.53 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 152643148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).