[1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate

C24H39NO4 — CID 20771114

IUPAC[1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(O)c1ccc(C(C)ON2C(C)(C)CC(OC(=O)C(C)(C)C)CC2(C)C)cc1
InChIInChI=1S/C24H39NO4/c1-16(26)18-10-12-19(13-11-18)17(2)29-25-23(6,7)14-20(15-24(25,8)9)28-21(27)22(3,4)5/h10-13,16-17,20,26H,14-15H2,1-9H3
InChIKeyRMPODMLNEWGGPM-UHFFFAOYSA-N
MW405.58 g/mol
LogP5.34
Rot. Bonds5

About [1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate

[1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate (PubChem CID 20771114) has the molecular formula C24H39NO4 and a molecular weight of 405.58 g/mol. Its IUPAC name is [1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate
PubChem CID20771114
Molecular FormulaC24H39NO4
Molecular Weight405.58 g/mol
Exact Mass405.29
IUPAC Name[1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(O)c1ccc(C(C)ON2C(C)(C)CC(OC(=O)C(C)(C)C)CC2(C)C)cc1
InChIInChI=1S/C24H39NO4/c1-16(26)18-10-12-19(13-11-18)17(2)29-25-23(6,7)14-20(15-24(25,8)9)28-21(27)22(3,4)5/h10-13,16-17,20,26H,14-15H2,1-9H3
InChIKeyRMPODMLNEWGGPM-UHFFFAOYSA-N
XLogP5.34
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.58
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate (CID 20771114) is [1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate is CC(O)c1ccc(C(C)ON2C(C)(C)CC(OC(=O)C(C)(C)C)CC2(C)C)cc1.
What is the InChIKey of [1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate?
The InChIKey is RMPODMLNEWGGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO4/c1-16(26)18-10-12-19(13-11-18)17(2)29-25-23(6,7)14-20(15-24(25,8)9)28-21(27)22(3,4)5/h10-13,16-17,20,26H,14-15H2,1-9H3.
What are the key properties of [1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate?
[1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate has a molecular weight of 405.58 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[4-(1-hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 20771114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).