(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone

C14H19NO4 — CID 103892247

IUPAC(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cc(O)cc(O)c2)C1
InChIInChI=1S/C14H19NO4/c1-2-19-13-4-3-5-15(9-13)14(18)10-6-11(16)8-12(17)7-10/h6-8,13,16-17H,2-5,9H2,1H3
InChIKeyBACFCNBDRVVODL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.74
Rot. Bonds3

About (3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone

(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 103892247) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
PubChem CID103892247
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cc(O)cc(O)c2)C1
InChIInChI=1S/C14H19NO4/c1-2-19-13-4-3-5-15(9-13)14(18)10-6-11(16)8-12(17)7-10/h6-8,13,16-17H,2-5,9H2,1H3
InChIKeyBACFCNBDRVVODL-UHFFFAOYSA-N
XLogP1.74
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369
(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 107074957
4-(3-ethoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 47736704
(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103940151
(3-ethoxypiperidin-1-yl)-(2-hydrazinyl-6-methyl-4-pyridinyl)methanone
CID 113379218
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 54983413
(3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone
CID 107705861
(3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone
CID 47736856
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone (CID 103892247) is (3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)c2cc(O)cc(O)c2)C1.
What is the InChIKey of (3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is BACFCNBDRVVODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-19-13-4-3-5-15(9-13)14(18)10-6-11(16)8-12(17)7-10/h6-8,13,16-17H,2-5,9H2,1H3.
What are the key properties of (3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone?
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 265.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 103892247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).