5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid

C18H30N2O3Si — CID 169081409

IUPAC5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cnc1C(=O)O
InChIInChI=1S/C18H30N2O3Si/c1-13-11-14(12-19-16(13)17(21)22)20-9-7-15(8-10-20)23-24(5,6)18(2,3)4/h11-12,15H,7-10H2,1-6H3,(H,21,22)
InChIKeyUKVFQDFWEFZRKQ-UHFFFAOYSA-N
MW350.54 g/mol
LogP4.08
Rot. Bonds4

About 5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid

5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid (PubChem CID 169081409) has the molecular formula C18H30N2O3Si and a molecular weight of 350.54 g/mol. Its IUPAC name is 5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid
PubChem CID169081409
Molecular FormulaC18H30N2O3Si
Molecular Weight350.54 g/mol
Exact Mass350.20
IUPAC Name5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cnc1C(=O)O
InChIInChI=1S/C18H30N2O3Si/c1-13-11-14(12-19-16(13)17(21)22)20-9-7-15(8-10-20)23-24(5,6)18(2,3)4/h11-12,15H,7-10H2,1-6H3,(H,21,22)
InChIKeyUKVFQDFWEFZRKQ-UHFFFAOYSA-N
XLogP4.08
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(N-methyl-N-benzylamino)-pyridine-2-carboxylic acid
CID 12640193
US11390631, Example 137
CID 126482643
5-(Dimethylamino)pyridine-2-carboxylic acid
CID 13730708
5-(1-Piperidinyl)-2-pyridinecarboxylic acid
CID 68604712
5-(Pyridin-3-ylmethylamino)pyridine-2-carboxylic acid
CID 12640184
5-(Pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
5-[Methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid
CID 12640194
5-[(3-Fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 12640197
5-Amino-3-methylpyridine-2-carboxylic acid hydrochloride
CID 137919888
1-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid
CID 177799913
3-(((tert-Butyldimethylsilyl)oxy)methyl)picolinic acid
CID 53359082
5-Amino-3-methyl-pyridine-2-carboxylic acid
CID 55253074

Frequently Asked Questions

What is the IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid (CID 169081409) is 5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid is Cc1cc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cnc1C(=O)O.
What is the InChIKey of 5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid?
The InChIKey is UKVFQDFWEFZRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3Si/c1-13-11-14(12-19-16(13)17(21)22)20-9-7-15(8-10-20)23-24(5,6)18(2,3)4/h11-12,15H,7-10H2,1-6H3,(H,21,22).
What are the key properties of 5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid?
5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid has a molecular weight of 350.54 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 169081409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).