(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone

C13H17NO3 — CID 43390697

IUPAC(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC(O)C2)c1O
InChIInChI=1S/C13H17NO3/c1-9-4-2-6-11(12(9)16)13(17)14-7-3-5-10(15)8-14/h2,4,6,10,15-16H,3,5,7-8H2,1H3
InChIKeySRELIPQWVUKEPR-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.30
Rot. Bonds1

About (2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone

(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 43390697) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID43390697
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC(O)C2)c1O
InChIInChI=1S/C13H17NO3/c1-9-4-2-6-11(12(9)16)13(17)14-7-3-5-10(15)8-14/h2,4,6,10,15-16H,3,5,7-8H2,1H3
InChIKeySRELIPQWVUKEPR-UHFFFAOYSA-N
XLogP1.30
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 58736699
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219
methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 78919388
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43502725
(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103863645
(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281924
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone (CID 43390697) is (2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone is Cc1cccc(C(=O)N2CCCC(O)C2)c1O.
What is the InChIKey of (2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is SRELIPQWVUKEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-4-2-6-11(12(9)16)13(17)14-7-3-5-10(15)8-14/h2,4,6,10,15-16H,3,5,7-8H2,1H3.
What are the key properties of (2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 235.28 g/mol, XLogP of 1.30, 1 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-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43390697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).