1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione

C15H19NO3 — CID 89357821

IUPAC1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione
SMILESCc1cccc(C(=O)CC(=O)N2CCCCC2)c1O
InChIInChI=1S/C15H19NO3/c1-11-6-5-7-12(15(11)19)13(17)10-14(18)16-8-3-2-4-9-16/h5-7,19H,2-4,8-10H2,1H3
InChIKeyMMNTZGHRULUWER-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.29
Rot. Bonds3

About 1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione

1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione (PubChem CID 89357821) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione
PubChem CID89357821
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione
SMILESCc1cccc(C(=O)CC(=O)N2CCCCC2)c1O
InChIInChI=1S/C15H19NO3/c1-11-6-5-7-12(15(11)19)13(17)10-14(18)16-8-3-2-4-9-16/h5-7,19H,2-4,8-10H2,1H3
InChIKeyMMNTZGHRULUWER-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide
CID 4611826
1-cyclopentyl-3-(2-hydroxy-3-methylphenyl)propane-1,3-dione
CID 14650432
3-[(2-hydroxy-3-methylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 115904834
methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 78919388
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
ethyl 4-[2-(2-hydroxy-3-methylbenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 7840448
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112699377
N-[3-(azepan-1-yl)-3-oxopropyl]-2,3-dihydroxy-4-methylbenzamide
CID 167804588
2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 51118177
(2-hydroxy-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28775446

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione?
The IUPAC name of 1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione (CID 89357821) is 1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione.
What is the SMILES notation for 1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione?
The canonical SMILES for 1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione is Cc1cccc(C(=O)CC(=O)N2CCCCC2)c1O.
What is the InChIKey of 1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione?
The InChIKey is MMNTZGHRULUWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-6-5-7-12(15(11)19)13(17)10-14(18)16-8-3-2-4-9-16/h5-7,19H,2-4,8-10H2,1H3.
What are the key properties of 1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione?
1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione has a molecular weight of 261.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 89357821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).