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

C13H17NO3 — CID 103863645

IUPAC(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H17NO3/c1-9-7-10(15)4-5-12(9)13(17)14-6-2-3-11(16)8-14/h4-5,7,11,15-16H,2-3,6,8H2,1H3
InChIKeyYHDPDCMWNXGBSL-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.30
Rot. Bonds1

About (4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone

(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 103863645) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID103863645
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H17NO3/c1-9-7-10(15)4-5-12(9)13(17)14-6-2-3-11(16)8-14/h4-5,7,11,15-16H,2-3,6,8H2,1H3
InChIKeyYHDPDCMWNXGBSL-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

(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
(4-bromo-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43630039
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 103863767
(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103865425
methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate
CID 103865413
(3-bromopyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107672985
3-[1-(4-hydroxy-2-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 107670760
(3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103873477
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 103865451
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(4-hydroxy-2-methylphenyl)methanone
CID 103863739
(4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103781423

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone (CID 103863645) is (4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone is Cc1cc(O)ccc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is YHDPDCMWNXGBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-7-10(15)4-5-12(9)13(17)14-6-2-3-11(16)8-14/h4-5,7,11,15-16H,2-3,6,8H2,1H3.
What are the key properties of (4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
(4-hydroxy-2-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 (4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 103863645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).