(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone

C13H17NO3 — CID 81097779

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
SMILESCC1(O)CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C13H17NO3/c1-13(17)5-7-14(8-6-13)12(16)10-3-2-4-11(15)9-10/h2-4,9,15,17H,5-8H2,1H3
InChIKeyHIYCHVHJVWCZJN-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.38
Rot. Bonds1

About (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone (PubChem CID 81097779) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
PubChem CID81097779
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
SMILESCC1(O)CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C13H17NO3/c1-13(17)5-7-14(8-6-13)12(16)10-3-2-4-11(15)9-10/h2-4,9,15,17H,5-8H2,1H3
InChIKeyHIYCHVHJVWCZJN-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81095901
(3,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103957511
(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 81103143
N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 81108849
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125171
(4-hydroxy-4-methylazepan-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 107406050
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103134
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone (CID 81097779) is (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone is CC1(O)CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone?
The InChIKey is HIYCHVHJVWCZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(17)5-7-14(8-6-13)12(16)10-3-2-4-11(15)9-10/h2-4,9,15,17H,5-8H2,1H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone has a molecular weight of 235.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 81097779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).