4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine

C30H37N — CID 170075562

IUPAC4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine
SMILESCC(C)c1ccc(-c2cccc(-c3ccc(C4(C(C)(C)C)CCNCC4)cc3)c2)cc1
InChIInChI=1S/C30H37N/c1-22(2)23-9-11-24(12-10-23)26-7-6-8-27(21-26)25-13-15-28(16-14-25)30(29(3,4)5)17-19-31-20-18-30/h6-16,21-22,31H,17-20H2,1-5H3
InChIKeyYYHLOOQIHHICEP-UHFFFAOYSA-N
MW411.63 g/mol
LogP7.81
Rot. Bonds4

About 4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine

4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine (PubChem CID 170075562) has the molecular formula C30H37N and a molecular weight of 411.63 g/mol. Its IUPAC name is 4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine
PubChem CID170075562
Molecular FormulaC30H37N
Molecular Weight411.63 g/mol
Exact Mass411.29
IUPAC Name4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine
SMILESCC(C)c1ccc(-c2cccc(-c3ccc(C4(C(C)(C)C)CCNCC4)cc3)c2)cc1
InChIInChI=1S/C30H37N/c1-22(2)23-9-11-24(12-10-23)26-7-6-8-27(21-26)25-13-15-28(16-14-25)30(29(3,4)5)17-19-31-20-18-30/h6-16,21-22,31H,17-20H2,1-5H3
InChIKeyYYHLOOQIHHICEP-UHFFFAOYSA-N
XLogP7.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine?
The IUPAC name of 4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine (CID 170075562) is 4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine.
What is the SMILES notation for 4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine?
The canonical SMILES for 4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine is CC(C)c1ccc(-c2cccc(-c3ccc(C4(C(C)(C)C)CCNCC4)cc3)c2)cc1.
What is the InChIKey of 4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine?
The InChIKey is YYHLOOQIHHICEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N/c1-22(2)23-9-11-24(12-10-23)26-7-6-8-27(21-26)25-13-15-28(16-14-25)30(29(3,4)5)17-19-31-20-18-30/h6-16,21-22,31H,17-20H2,1-5H3.
What are the key properties of 4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine?
4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine has a molecular weight of 411.63 g/mol, XLogP of 7.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine is sourced from PubChem (CID 170075562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).