4-tritylpiperidin-1-ium

C24H26N+ — CID 155644615

IUPAC4-tritylpiperidin-1-ium
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)C2CC[NH2+]CC2)cc1
InChIInChI=1S/C24H25N/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21,22-14-8-3-9-15-22)23-16-18-25-19-17-23/h1-15,23,25H,16-19H2/p+1
InChIKeyCQMJYHJAPDPREI-UHFFFAOYSA-O
MW328.48 g/mol
LogP3.99
Rot. Bonds4

About 4-tritylpiperidin-1-ium

4-tritylpiperidin-1-ium (PubChem CID 155644615) has the molecular formula C24H26N+ and a molecular weight of 328.48 g/mol. Its IUPAC name is 4-tritylpiperidin-1-ium.

Molecular Properties

Compound Name4-tritylpiperidin-1-ium
PubChem CID155644615
Molecular FormulaC24H26N+
Molecular Weight328.48 g/mol
Exact Mass328.21
IUPAC Name4-tritylpiperidin-1-ium
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)C2CC[NH2+]CC2)cc1
InChIInChI=1S/C24H25N/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21,22-14-8-3-9-15-22)23-16-18-25-19-17-23/h1-15,23,25H,16-19H2/p+1
InChIKeyCQMJYHJAPDPREI-UHFFFAOYSA-O
XLogP3.99
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 4-tritylpiperidin-1-ium?
The IUPAC name of 4-tritylpiperidin-1-ium (CID 155644615) is 4-tritylpiperidin-1-ium.
What is the SMILES notation for 4-tritylpiperidin-1-ium?
The canonical SMILES for 4-tritylpiperidin-1-ium is c1ccc(C(c2ccccc2)(c2ccccc2)C2CC[NH2+]CC2)cc1.
What is the InChIKey of 4-tritylpiperidin-1-ium?
The InChIKey is CQMJYHJAPDPREI-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25N/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21,22-14-8-3-9-15-22)23-16-18-25-19-17-23/h1-15,23,25H,16-19H2/p+1.
What are the key properties of 4-tritylpiperidin-1-ium?
4-tritylpiperidin-1-ium has a molecular weight of 328.48 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tritylpiperidin-1-ium is sourced from PubChem (CID 155644615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).