(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C14H19NO3 — CID 43589508

IUPAC(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(CO)C2)cc1O
InChIInChI=1S/C14H19NO3/c1-10-4-5-12(7-13(10)17)14(18)15-6-2-3-11(8-15)9-16/h4-5,7,11,16-17H,2-3,6,8-9H2,1H3
InChIKeyKWACDFOZBZNSPN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.55
Rot. Bonds2

About (3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43589508) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43589508
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(CO)C2)cc1O
InChIInChI=1S/C14H19NO3/c1-10-4-5-12(7-13(10)17)14(18)15-6-2-3-11(8-15)9-16/h4-5,7,11,16-17H,2-3,6,8-9H2,1H3
InChIKeyKWACDFOZBZNSPN-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-hydroxy-4-methylphenyl)-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95555458
[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42883607
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 114802115
2,3-dihydro-1H-inden-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422317
[(3S)-3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 95716910
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 86313906
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 61421459
(4-fluoro-3-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55163647

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 43589508) is (3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC(CO)C2)cc1O.
What is the InChIKey of (3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is KWACDFOZBZNSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-4-5-12(7-13(10)17)14(18)15-6-2-3-11(8-15)9-16/h4-5,7,11,16-17H,2-3,6,8-9H2,1H3.
What are the key properties of (3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(3-hydroxy-4-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 (3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43589508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).