2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine

C23H31N — CID 171443253

IUPAC2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine
SMILESCc1ccc(-c2ccc(C3(C)CC(C)(C)NC(C)(C)C3)cc2)cc1
InChIInChI=1S/C23H31N/c1-17-7-9-18(10-8-17)19-11-13-20(14-12-19)23(6)15-21(2,3)24-22(4,5)16-23/h7-14,24H,15-16H2,1-6H3
InChIKeyZHHNJGUJQHBTBF-UHFFFAOYSA-N
MW321.51 g/mol
LogP5.86
Rot. Bonds2

About 2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine

2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine (PubChem CID 171443253) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine.

Molecular Properties

Compound Name2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine
PubChem CID171443253
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine
SMILESCc1ccc(-c2ccc(C3(C)CC(C)(C)NC(C)(C)C3)cc2)cc1
InChIInChI=1S/C23H31N/c1-17-7-9-18(10-8-17)19-11-13-20(14-12-19)23(6)15-21(2,3)24-22(4,5)16-23/h7-14,24H,15-16H2,1-6H3
InChIKeyZHHNJGUJQHBTBF-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine?
The IUPAC name of 2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine (CID 171443253) is 2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine.
What is the SMILES notation for 2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine?
The canonical SMILES for 2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine is Cc1ccc(-c2ccc(C3(C)CC(C)(C)NC(C)(C)C3)cc2)cc1.
What is the InChIKey of 2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine?
The InChIKey is ZHHNJGUJQHBTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-17-7-9-18(10-8-17)19-11-13-20(14-12-19)23(6)15-21(2,3)24-22(4,5)16-23/h7-14,24H,15-16H2,1-6H3.
What are the key properties of 2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine?
2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine has a molecular weight of 321.51 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine is sourced from PubChem (CID 171443253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).