(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C14H19NO3 — CID 43403219

IUPAC(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCCC(CO)C2)c1O
InChIInChI=1S/C14H19NO3/c1-10-4-2-6-12(13(10)17)14(18)15-7-3-5-11(8-15)9-16/h2,4,6,11,16-17H,3,5,7-9H2,1H3
InChIKeyOTZKYNXMTHMRRB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.55
Rot. Bonds2

About (2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43403219) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43403219
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCCC(CO)C2)c1O
InChIInChI=1S/C14H19NO3/c1-10-4-2-6-12(13(10)17)14(18)15-7-3-5-11(8-15)9-16/h2,4,6,11,16-17H,3,5,7-9H2,1H3
InChIKeyOTZKYNXMTHMRRB-UHFFFAOYSA-N
XLogP1.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
[3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone
CID 110886796
methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 78919388
(5-amino-2,4-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 102705090
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
[3-(bromomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479115
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 110886887
(2-bromo-3-methylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 107983905
(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765514
(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281924

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 43403219) is (2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is Cc1cccc(C(=O)N2CCCC(CO)C2)c1O.
What is the InChIKey of (2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is OTZKYNXMTHMRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-4-2-6-12(13(10)17)14(18)15-7-3-5-11(8-15)9-16/h2,4,6,11,16-17H,3,5,7-9H2,1H3.
What are the key properties of (2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 249.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43403219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).