6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde

C18H30N2O2Si — CID 174748101

IUPAC6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde
SMILESCc1ccc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)nc1C=O
InChIInChI=1S/C18H30N2O2Si/c1-14-7-8-17(19-16(14)13-21)20-11-9-15(10-12-20)22-23(5,6)18(2,3)4/h7-8,13,15H,9-12H2,1-6H3
InChIKeyOYCUIOIVSOUVTP-UHFFFAOYSA-N
MW334.54 g/mol
LogP4.19
Rot. Bonds4

About 6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde

6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde (PubChem CID 174748101) has the molecular formula C18H30N2O2Si and a molecular weight of 334.54 g/mol. Its IUPAC name is 6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde
PubChem CID174748101
Molecular FormulaC18H30N2O2Si
Molecular Weight334.54 g/mol
Exact Mass334.21
IUPAC Name6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde
SMILESCc1ccc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)nc1C=O
InChIInChI=1S/C18H30N2O2Si/c1-14-7-8-17(19-16(14)13-21)20-11-9-15(10-12-20)22-23(5,6)18(2,3)4/h7-8,13,15H,9-12H2,1-6H3
InChIKeyOYCUIOIVSOUVTP-UHFFFAOYSA-N
XLogP4.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde?
The IUPAC name of 6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde (CID 174748101) is 6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde?
The canonical SMILES for 6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde is Cc1ccc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)nc1C=O.
What is the InChIKey of 6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde?
The InChIKey is OYCUIOIVSOUVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2Si/c1-14-7-8-17(19-16(14)13-21)20-11-9-15(10-12-20)22-23(5,6)18(2,3)4/h7-8,13,15H,9-12H2,1-6H3.
What are the key properties of 6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde?
6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde has a molecular weight of 334.54 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 174748101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).