(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone

C15H21NO3 — CID 54983413

IUPAC(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
SMILESCCOC1CCCN(C(=O)c2ccc(C)cc2O)C1
InChIInChI=1S/C15H21NO3/c1-3-19-12-5-4-8-16(10-12)15(18)13-7-6-11(2)9-14(13)17/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyPRNCUZCZWLAFLZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds3

About (3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone

(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone (PubChem CID 54983413) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
PubChem CID54983413
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
SMILESCCOC1CCCN(C(=O)c2ccc(C)cc2O)C1
InChIInChI=1S/C15H21NO3/c1-3-19-12-5-4-8-16(10-12)15(18)13-7-6-11(2)9-14(13)17/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyPRNCUZCZWLAFLZ-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103940151
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 63091098
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 107074957
1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxamide
CID 43176610
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247
(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 62512361
(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 54985459
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335
(3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 47736836

Frequently Asked Questions

What is the IUPAC name of (3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone?
The IUPAC name of (3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone (CID 54983413) is (3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone.
What is the SMILES notation for (3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone?
The canonical SMILES for (3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone is CCOC1CCCN(C(=O)c2ccc(C)cc2O)C1.
What is the InChIKey of (3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone?
The InChIKey is PRNCUZCZWLAFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-12-5-4-8-16(10-12)15(18)13-7-6-11(2)9-14(13)17/h6-7,9,12,17H,3-5,8,10H2,1-2H3.
What are the key properties of (3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone?
(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone is sourced from PubChem (CID 54983413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).