2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide

C28H37BrN2 — CID 45050906

IUPAC2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide
SMILESBr.CC(C)(C)c1ccc(-c2cc(N3C(C)(C)CCCC3(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C28H36N2.BrH/c1-26(2,3)21-15-13-20(14-16-21)24-19-25(22-11-8-9-12-23(22)29-24)30-27(4,5)17-10-18-28(30,6)7;/h8-9,11-16,19H,10,17-18H2,1-7H3;1H
InChIKeyUUTYMBSHRGJABX-UHFFFAOYSA-N
MW481.52 g/mol
LogP8.32
Rot. Bonds2

About 2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide

2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide (PubChem CID 45050906) has the molecular formula C28H37BrN2 and a molecular weight of 481.52 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide
PubChem CID45050906
Molecular FormulaC28H37BrN2
Molecular Weight481.52 g/mol
Exact Mass480.21
IUPAC Name2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide
SMILESBr.CC(C)(C)c1ccc(-c2cc(N3C(C)(C)CCCC3(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C28H36N2.BrH/c1-26(2,3)21-15-13-20(14-16-21)24-19-25(22-11-8-9-12-23(22)29-24)30-27(4,5)17-10-18-28(30,6)7;/h8-9,11-16,19H,10,17-18H2,1-7H3;1H
InChIKeyUUTYMBSHRGJABX-UHFFFAOYSA-N
XLogP8.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide?
The IUPAC name of 2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide (CID 45050906) is 2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide is Br.CC(C)(C)c1ccc(-c2cc(N3C(C)(C)CCCC3(C)C)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide?
The InChIKey is UUTYMBSHRGJABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2.BrH/c1-26(2,3)21-15-13-20(14-16-21)24-19-25(22-11-8-9-12-23(22)29-24)30-27(4,5)17-10-18-28(30,6)7;/h8-9,11-16,19H,10,17-18H2,1-7H3;1H.
What are the key properties of 2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide?
2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide has a molecular weight of 481.52 g/mol, XLogP of 8.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide is sourced from PubChem (CID 45050906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).