(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C14H19NO4 — CID 114501379

IUPAC(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(O)c(C(=O)N2CCC(O)C(C)C2)c1
InChIInChI=1S/C14H19NO4/c1-9-8-15(6-5-12(9)16)14(18)11-7-10(19-2)3-4-13(11)17/h3-4,7,9,12,16-17H,5-6,8H2,1-2H3
InChIKeyQDOFMQPLDKKNMS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.24
Rot. Bonds2

About (2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114501379) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114501379
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(O)c(C(=O)N2CCC(O)C(C)C2)c1
InChIInChI=1S/C14H19NO4/c1-9-8-15(6-5-12(9)16)14(18)11-7-10(19-2)3-4-13(11)17/h3-4,7,9,12,16-17H,5-6,8H2,1-2H3
InChIKeyQDOFMQPLDKKNMS-UHFFFAOYSA-N
XLogP1.24
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114501379) is (2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is COc1ccc(O)c(C(=O)N2CCC(O)C(C)C2)c1.
What is the InChIKey of (2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is QDOFMQPLDKKNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-8-15(6-5-12(9)16)14(18)11-7-10(19-2)3-4-13(11)17/h3-4,7,9,12,16-17H,5-6,8H2,1-2H3.
What are the key properties of (2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 265.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114501379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).