(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate

C30H49NO4 — CID 19892345

IUPAC(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate
SMILESCC(C)(C)c1cc(C(=O)OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H49NO4/c1-27(2,3)23-16-20(17-24(25(23)32)28(4,5)6)26(33)34-22-18-29(7,8)31(30(9,10)19-22)35-21-14-12-11-13-15-21/h16-17,21-22,32H,11-15,18-19H2,1-10H3
InChIKeyCHHSXJUAGIPPSX-UHFFFAOYSA-N
MW487.73 g/mol
LogP7.43
Rot. Bonds4

About (1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate

(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate (PubChem CID 19892345) has the molecular formula C30H49NO4 and a molecular weight of 487.73 g/mol. Its IUPAC name is (1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate.

Molecular Properties

Compound Name(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate
PubChem CID19892345
Molecular FormulaC30H49NO4
Molecular Weight487.73 g/mol
Exact Mass487.37
IUPAC Name(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate
SMILESCC(C)(C)c1cc(C(=O)OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H49NO4/c1-27(2,3)23-16-20(17-24(25(23)32)28(4,5)6)26(33)34-22-18-29(7,8)31(30(9,10)19-22)35-21-14-12-11-13-15-21/h16-17,21-22,32H,11-15,18-19H2,1-10H3
InChIKeyCHHSXJUAGIPPSX-UHFFFAOYSA-N
XLogP7.43
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.73
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate?
The IUPAC name of (1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate (CID 19892345) is (1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate.
What is the SMILES notation for (1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate?
The canonical SMILES for (1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate is CC(C)(C)c1cc(C(=O)OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)cc(C(C)(C)C)c1O.
What is the InChIKey of (1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate?
The InChIKey is CHHSXJUAGIPPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49NO4/c1-27(2,3)23-16-20(17-24(25(23)32)28(4,5)6)26(33)34-22-18-29(7,8)31(30(9,10)19-22)35-21-14-12-11-13-15-21/h16-17,21-22,32H,11-15,18-19H2,1-10H3.
What are the key properties of (1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate?
(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate has a molecular weight of 487.73 g/mol, XLogP of 7.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate is sourced from PubChem (CID 19892345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).