piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone

C17H23NOSi — CID 101009068

IUPACpiperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone
SMILESC[Si](C)(C)C#Cc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C17H23NOSi/c1-20(2,3)14-11-15-9-5-6-10-16(15)17(19)18-12-7-4-8-13-18/h5-6,9-10H,4,7-8,12-13H2,1-3H3
InChIKeyJQNIAHHITWLRSO-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.54
Rot. Bonds1

About piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone

piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone (PubChem CID 101009068) has the molecular formula C17H23NOSi and a molecular weight of 285.46 g/mol. Its IUPAC name is piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone
PubChem CID101009068
Molecular FormulaC17H23NOSi
Molecular Weight285.46 g/mol
Exact Mass285.15
IUPAC Namepiperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone
SMILESC[Si](C)(C)C#Cc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C17H23NOSi/c1-20(2,3)14-11-15-9-5-6-10-16(15)17(19)18-12-7-4-8-13-18/h5-6,9-10H,4,7-8,12-13H2,1-3H3
InChIKeyJQNIAHHITWLRSO-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-(piperidine-1-carbonyl)phenolate
CID 101121314
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
[2-(piperidine-1-carbonyl)phenyl]boronic acid
CID 90477220
(4-hydroxy-4-methylazepan-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 107407252
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
[2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone
CID 101469596
(4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 63161864
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone?
The IUPAC name of piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone (CID 101009068) is piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone is C[Si](C)(C)C#Cc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone?
The InChIKey is JQNIAHHITWLRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOSi/c1-20(2,3)14-11-15-9-5-6-10-16(15)17(19)18-12-7-4-8-13-18/h5-6,9-10H,4,7-8,12-13H2,1-3H3.
What are the key properties of piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone?
piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone has a molecular weight of 285.46 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone is sourced from PubChem (CID 101009068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).