4-(4,4-diethoxypiperidin-1-yl)phenol

C15H23NO3 — CID 69481596

IUPAC4-(4,4-diethoxypiperidin-1-yl)phenol
SMILESCCOC1(OCC)CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H23NO3/c1-3-18-15(19-4-2)9-11-16(12-10-15)13-5-7-14(17)8-6-13/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyWLHYVGIEKMJURA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.76
Rot. Bonds5

About 4-(4,4-diethoxypiperidin-1-yl)phenol

4-(4,4-diethoxypiperidin-1-yl)phenol (PubChem CID 69481596) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-(4,4-diethoxypiperidin-1-yl)phenol.

Molecular Properties

Compound Name4-(4,4-diethoxypiperidin-1-yl)phenol
PubChem CID69481596
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-(4,4-diethoxypiperidin-1-yl)phenol
SMILESCCOC1(OCC)CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H23NO3/c1-3-18-15(19-4-2)9-11-16(12-10-15)13-5-7-14(17)8-6-13/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyWLHYVGIEKMJURA-UHFFFAOYSA-N
XLogP2.76
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-diethoxypiperidin-1-yl)phenol?
The IUPAC name of 4-(4,4-diethoxypiperidin-1-yl)phenol (CID 69481596) is 4-(4,4-diethoxypiperidin-1-yl)phenol.
What is the SMILES notation for 4-(4,4-diethoxypiperidin-1-yl)phenol?
The canonical SMILES for 4-(4,4-diethoxypiperidin-1-yl)phenol is CCOC1(OCC)CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4,4-diethoxypiperidin-1-yl)phenol?
The InChIKey is WLHYVGIEKMJURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-18-15(19-4-2)9-11-16(12-10-15)13-5-7-14(17)8-6-13/h5-8,17H,3-4,9-12H2,1-2H3.
What are the key properties of 4-(4,4-diethoxypiperidin-1-yl)phenol?
4-(4,4-diethoxypiperidin-1-yl)phenol has a molecular weight of 265.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-diethoxypiperidin-1-yl)phenol is sourced from PubChem (CID 69481596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).