1-tritylpiperidin-4-one

C24H23NO — CID 2748414

IUPAC1-tritylpiperidin-4-one
SMILESO=C1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H23NO/c26-23-16-18-25(19-17-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H,16-19H2
InChIKeyTTWLMWSWSQUXDB-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.64
Rot. Bonds4

About 1-tritylpiperidin-4-one

1-tritylpiperidin-4-one (PubChem CID 2748414) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-tritylpiperidin-4-one.

Molecular Properties

Compound Name1-tritylpiperidin-4-one
PubChem CID2748414
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name1-tritylpiperidin-4-one
SMILESO=C1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H23NO/c26-23-16-18-25(19-17-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H,16-19H2
InChIKeyTTWLMWSWSQUXDB-UHFFFAOYSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tritylpiperidin-4-one?
The IUPAC name of 1-tritylpiperidin-4-one (CID 2748414) is 1-tritylpiperidin-4-one.
What is the SMILES notation for 1-tritylpiperidin-4-one?
The canonical SMILES for 1-tritylpiperidin-4-one is O=C1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-tritylpiperidin-4-one?
The InChIKey is TTWLMWSWSQUXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c26-23-16-18-25(19-17-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H,16-19H2.
What are the key properties of 1-tritylpiperidin-4-one?
1-tritylpiperidin-4-one has a molecular weight of 341.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritylpiperidin-4-one is sourced from PubChem (CID 2748414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).