2,3,5,6-tetraphenylpiperidin-4-one

C29H25NO — CID 3124945

IUPAC2,3,5,6-tetraphenylpiperidin-4-one
SMILESO=C1C(c2ccccc2)C(c2ccccc2)NC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C29H25NO/c31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30-28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22/h1-20,25-28,30H
InChIKeyCRLQJTSACHTAGF-UHFFFAOYSA-N
MW403.53 g/mol
LogP6.21
Rot. Bonds4

About 2,3,5,6-tetraphenylpiperidin-4-one

2,3,5,6-tetraphenylpiperidin-4-one (PubChem CID 3124945) has the molecular formula C29H25NO and a molecular weight of 403.53 g/mol. Its IUPAC name is 2,3,5,6-tetraphenylpiperidin-4-one.

Molecular Properties

Compound Name2,3,5,6-tetraphenylpiperidin-4-one
PubChem CID3124945
Molecular FormulaC29H25NO
Molecular Weight403.53 g/mol
Exact Mass403.19
IUPAC Name2,3,5,6-tetraphenylpiperidin-4-one
SMILESO=C1C(c2ccccc2)C(c2ccccc2)NC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C29H25NO/c31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30-28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22/h1-20,25-28,30H
InChIKeyCRLQJTSACHTAGF-UHFFFAOYSA-N
XLogP6.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetraphenylpiperidin-4-one?
The IUPAC name of 2,3,5,6-tetraphenylpiperidin-4-one (CID 3124945) is 2,3,5,6-tetraphenylpiperidin-4-one.
What is the SMILES notation for 2,3,5,6-tetraphenylpiperidin-4-one?
The canonical SMILES for 2,3,5,6-tetraphenylpiperidin-4-one is O=C1C(c2ccccc2)C(c2ccccc2)NC(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2,3,5,6-tetraphenylpiperidin-4-one?
The InChIKey is CRLQJTSACHTAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO/c31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30-28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22/h1-20,25-28,30H.
What are the key properties of 2,3,5,6-tetraphenylpiperidin-4-one?
2,3,5,6-tetraphenylpiperidin-4-one has a molecular weight of 403.53 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetraphenylpiperidin-4-one is sourced from PubChem (CID 3124945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).