methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate

C15H19NO4 — CID 103865413

IUPACmethyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2ccc(O)cc2C)C1
InChIInChI=1S/C15H19NO4/c1-10-8-12(17)5-6-13(10)14(18)16-7-3-4-11(9-16)15(19)20-2/h5-6,8,11,17H,3-4,7,9H2,1-2H3
InChIKeyDZCUKAVYFFTXKA-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.73
Rot. Bonds2

About methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate

methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate (PubChem CID 103865413) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate
PubChem CID103865413
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2ccc(O)cc2C)C1
InChIInChI=1S/C15H19NO4/c1-10-8-12(17)5-6-13(10)14(18)16-7-3-4-11(9-16)15(19)20-2/h5-6,8,11,17H,3-4,7,9H2,1-2H3
InChIKeyDZCUKAVYFFTXKA-UHFFFAOYSA-N
XLogP1.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103865425
(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103863645
methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 78919388
methyl 1-(3,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 56593212
methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate
CID 110465861
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
methyl (3S)-1-(2,4-dichlorobenzoyl)piperidine-3-carboxylate
CID 78919345
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 103863767
methyl (3S)-1-(4-chloro-3-methylbenzoyl)piperidine-3-carboxylate
CID 103760234
methyl (3S)-1-(3-bromo-4-methylbenzoyl)piperidine-3-carboxylate
CID 79458802
ethyl (3R)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338523
methyl 1-(3-amino-4-methylbenzoyl)piperidine-3-carboxylate
CID 110488213

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate (CID 103865413) is methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)c2ccc(O)cc2C)C1.
What is the InChIKey of methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate?
The InChIKey is DZCUKAVYFFTXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-8-12(17)5-6-13(10)14(18)16-7-3-4-11(9-16)15(19)20-2/h5-6,8,11,17H,3-4,7,9H2,1-2H3.
What are the key properties of methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate?
methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 103865413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).