4-chloro-2-phenyl-1-tritylpiperidine

C30H28ClN — CID 174343301

IUPAC4-chloro-2-phenyl-1-tritylpiperidine
SMILESClC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C30H28ClN/c31-28-21-22-32(29(23-28)24-13-5-1-6-14-24)30(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2
InChIKeyRMGLSIIHBILBOX-UHFFFAOYSA-N
MW438.01 g/mol
LogP7.42
Rot. Bonds5

About 4-chloro-2-phenyl-1-tritylpiperidine

4-chloro-2-phenyl-1-tritylpiperidine (PubChem CID 174343301) has the molecular formula C30H28ClN and a molecular weight of 438.01 g/mol. Its IUPAC name is 4-chloro-2-phenyl-1-tritylpiperidine.

Molecular Properties

Compound Name4-chloro-2-phenyl-1-tritylpiperidine
PubChem CID174343301
Molecular FormulaC30H28ClN
Molecular Weight438.01 g/mol
Exact Mass437.19
IUPAC Name4-chloro-2-phenyl-1-tritylpiperidine
SMILESClC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C30H28ClN/c31-28-21-22-32(29(23-28)24-13-5-1-6-14-24)30(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2
InChIKeyRMGLSIIHBILBOX-UHFFFAOYSA-N
XLogP7.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.01
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-1-tritylpiperidine?
The IUPAC name of 4-chloro-2-phenyl-1-tritylpiperidine (CID 174343301) is 4-chloro-2-phenyl-1-tritylpiperidine.
What is the SMILES notation for 4-chloro-2-phenyl-1-tritylpiperidine?
The canonical SMILES for 4-chloro-2-phenyl-1-tritylpiperidine is ClC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 4-chloro-2-phenyl-1-tritylpiperidine?
The InChIKey is RMGLSIIHBILBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN/c31-28-21-22-32(29(23-28)24-13-5-1-6-14-24)30(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2.
What are the key properties of 4-chloro-2-phenyl-1-tritylpiperidine?
4-chloro-2-phenyl-1-tritylpiperidine has a molecular weight of 438.01 g/mol, XLogP of 7.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-1-tritylpiperidine is sourced from PubChem (CID 174343301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).