1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol

C17H27NO — CID 139470827

IUPAC1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol
SMILESCCc1ccc(N2CC(C)(C)C(O)C(C)(C)C2)cc1
InChIInChI=1S/C17H27NO/c1-6-13-7-9-14(10-8-13)18-11-16(2,3)15(19)17(4,5)12-18/h7-10,15,19H,6,11-12H2,1-5H3
InChIKeySZGYMEXYBMMPPD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.48
Rot. Bonds2

About 1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol

1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol (PubChem CID 139470827) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol
PubChem CID139470827
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol
SMILESCCc1ccc(N2CC(C)(C)C(O)C(C)(C)C2)cc1
InChIInChI=1S/C17H27NO/c1-6-13-7-9-14(10-8-13)18-11-16(2,3)15(19)17(4,5)12-18/h7-10,15,19H,6,11-12H2,1-5H3
InChIKeySZGYMEXYBMMPPD-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol?
The IUPAC name of 1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol (CID 139470827) is 1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol is CCc1ccc(N2CC(C)(C)C(O)C(C)(C)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol?
The InChIKey is SZGYMEXYBMMPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-13-7-9-14(10-8-13)18-11-16(2,3)15(19)17(4,5)12-18/h7-10,15,19H,6,11-12H2,1-5H3.
What are the key properties of 1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol?
1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol has a molecular weight of 261.41 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol is sourced from PubChem (CID 139470827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).