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

C14H16F3NO3 — CID 110016650

IUPAC(3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(O)(C(F)(F)F)CC2)cc1O
InChIInChI=1S/C14H16F3NO3/c1-9-2-3-10(8-11(9)19)12(20)18-6-4-13(21,5-7-18)14(15,16)17/h2-3,8,19,21H,4-7H2,1H3
InChIKeyXNPTYYOACGLIAT-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.23
Rot. Bonds1

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

(3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 110016650) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is (3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID110016650
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name(3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(O)(C(F)(F)F)CC2)cc1O
InChIInChI=1S/C14H16F3NO3/c1-9-2-3-10(8-11(9)19)12(20)18-6-4-13(21,5-7-18)14(15,16)17/h2-3,8,19,21H,4-7H2,1H3
InChIKeyXNPTYYOACGLIAT-UHFFFAOYSA-N
XLogP2.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 86781380
furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483
(3,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103957511
(3S)-8-(3-hydroxy-4-methylbenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95723385
(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 61421459
3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159047
2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one
CID 171834173
[4-(chloromethyl)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63397948
1-[(6R)-6-hydroxy-4-(3-hydroxy-4-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 97127858
(3-hydroxy-5-methyl-2-pyridinyl)-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]methanone
CID 146087309
[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 66202136
2-(2-hydroxyethyl)-9-(3-hydroxy-4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72871813

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone (CID 110016650) is (3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(O)(C(F)(F)F)CC2)cc1O.
What is the InChIKey of (3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is XNPTYYOACGLIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-9-2-3-10(8-11(9)19)12(20)18-6-4-13(21,5-7-18)14(15,16)17/h2-3,8,19,21H,4-7H2,1H3.
What are the key properties of (3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
(3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 303.28 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110016650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).