(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone

C14H20N2O3 — CID 107074957

IUPAC(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cc(O)ccc2N)C1
InChIInChI=1S/C14H20N2O3/c1-2-19-11-4-3-7-16(9-11)14(18)12-8-10(17)5-6-13(12)15/h5-6,8,11,17H,2-4,7,9,15H2,1H3
InChIKeyJCSRWNYLXXPHDF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.62
Rot. Bonds3

About (2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone

(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 107074957) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
PubChem CID107074957
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cc(O)ccc2N)C1
InChIInChI=1S/C14H20N2O3/c1-2-19-11-4-3-7-16(9-11)14(18)12-8-10(17)5-6-13(12)15/h5-6,8,11,17H,2-4,7,9,15H2,1H3
InChIKeyJCSRWNYLXXPHDF-UHFFFAOYSA-N
XLogP1.62
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802
(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 54985459
(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103940151
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247
(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 54983413
(2-amino-3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 115540541
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
(2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218408
(2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 102739317
[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea
CID 107074607
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone (CID 107074957) is (2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)c2cc(O)ccc2N)C1.
What is the InChIKey of (2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is JCSRWNYLXXPHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-11-4-3-7-16(9-11)14(18)12-8-10(17)5-6-13(12)15/h5-6,8,11,17H,2-4,7,9,15H2,1H3.
What are the key properties of (2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone?
(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 107074957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).