(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

C16H23NO2 — CID 114593572

IUPAC(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CC(C)CC(C)C2C)c1O
InChIInChI=1S/C16H23NO2/c1-10-8-12(3)13(4)17(9-10)16(19)14-7-5-6-11(2)15(14)18/h5-7,10,12-13,18H,8-9H2,1-4H3
InChIKeyVOUFINHHPCTTEC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.21
Rot. Bonds1

About (2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114593572) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114593572
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CC(C)CC(C)C2C)c1O
InChIInChI=1S/C16H23NO2/c1-10-8-12(3)13(4)17(9-10)16(19)14-7-5-6-11(2)15(14)18/h5-7,10,12-13,18H,8-9H2,1-4H3
InChIKeyVOUFINHHPCTTEC-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)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

(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107689677
(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 103274732
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 81212234
(3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593400
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 102787656
(6-fluoro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114592943
(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591861
(6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114592936
(2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591834
(5-hydroxy-2-nitrophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107076691
(2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593396
(5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591779

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114593572) is (2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is Cc1cccc(C(=O)N2CC(C)CC(C)C2C)c1O.
What is the InChIKey of (2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is VOUFINHHPCTTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-8-12(3)13(4)17(9-10)16(19)14-7-5-6-11(2)15(14)18/h5-7,10,12-13,18H,8-9H2,1-4H3.
What are the key properties of (2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114593572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).