(3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone

C14H19NO3 — CID 43419645

IUPAC(3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C14H19NO3/c1-18-10-11-5-2-3-7-13(11)14(17)15-8-4-6-12(16)9-15/h2-3,5,7,12,16H,4,6,8-10H2,1H3
InChIKeyJOBMQXABULEKAR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.43
Rot. Bonds3

About (3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone

(3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone (PubChem CID 43419645) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone
PubChem CID43419645
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C14H19NO3/c1-18-10-11-5-2-3-7-13(11)14(17)15-8-4-6-12(16)9-15/h2-3,5,7,12,16H,4,6,8-10H2,1H3
InChIKeyJOBMQXABULEKAR-UHFFFAOYSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone (CID 43419645) is (3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone is COCc1ccccc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone?
The InChIKey is JOBMQXABULEKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-10-11-5-2-3-7-13(11)14(17)15-8-4-6-12(16)9-15/h2-3,5,7,12,16H,4,6,8-10H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone has a molecular weight of 249.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[2-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 43419645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).