tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate

C17H23NO4 — CID 66724451

IUPACtert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate
SMILESCc1cc(O)ccc1C1CN(C(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C17H23NO4/c1-11-9-12(19)5-6-13(11)14-10-18(8-7-15(14)20)16(21)22-17(2,3)4/h5-6,9,14,19H,7-8,10H2,1-4H3
InChIKeyIYGTUDQTOPRVSL-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.99
Rot. Bonds1

About tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate

tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate (PubChem CID 66724451) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate
PubChem CID66724451
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nametert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate
SMILESCc1cc(O)ccc1C1CN(C(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C17H23NO4/c1-11-9-12(19)5-6-13(11)14-10-18(8-7-15(14)20)16(21)22-17(2,3)4/h5-6,9,14,19H,7-8,10H2,1-4H3
InChIKeyIYGTUDQTOPRVSL-UHFFFAOYSA-N
XLogP2.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate 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

tert-butyl 3-(3-fluoro-5-methylphenyl)-4-oxopiperidine-1-carboxylate
CID 90477201
tert-butyl 3-(1-methylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate
CID 166561621
tert-butyl (4S)-4-(4-fluoro-2-methylphenyl)-3-oxopiperidine-1-carboxylate
CID 95566777
tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate
CID 86318470
tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate
CID 66884464
tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate
CID 146158103
tert-butyl 3-[5-(dimethoxymethyl)-3-pyridinyl]-4-oxopiperidine-1-carboxylate
CID 164734743
tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate
CID 95566700
tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate
CID 168887673
tert-butyl (3S)-3-[(3-bromophenyl)methyl]-4-oxopiperidine-1-carboxylate
CID 124678845
tert-butyl 3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-oxopiperidine-1-carboxylate
CID 146286050
tert-butyl 3-(2-hydroxy-2-methylpropyl)-4-oxopiperidine-1-carboxylate
CID 114451413

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate (CID 66724451) is tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate is Cc1cc(O)ccc1C1CN(C(=O)OC(C)(C)C)CCC1=O.
What is the InChIKey of tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate?
The InChIKey is IYGTUDQTOPRVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11-9-12(19)5-6-13(11)14-10-18(8-7-15(14)20)16(21)22-17(2,3)4/h5-6,9,14,19H,7-8,10H2,1-4H3.
What are the key properties of tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate?
tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 66724451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).