1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione

C15H25NO3 — CID 65121939

IUPAC1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1CCC(O)(CN2C(=O)CC(C)(C)CC2=O)CC1
InChIInChI=1S/C15H25NO3/c1-11-4-6-15(19,7-5-11)10-16-12(17)8-14(2,3)9-13(16)18/h11,19H,4-10H2,1-3H3
InChIKeyVAPMFAITQBDSKC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.10
Rot. Bonds2

About 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione

1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 65121939) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID65121939
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1CCC(O)(CN2C(=O)CC(C)(C)CC2=O)CC1
InChIInChI=1S/C15H25NO3/c1-11-4-6-15(19,7-5-11)10-16-12(17)8-14(2,3)9-13(16)18/h11,19H,4-10H2,1-3H3
InChIKeyVAPMFAITQBDSKC-UHFFFAOYSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione (CID 65121939) is 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione is CC1CCC(O)(CN2C(=O)CC(C)(C)CC2=O)CC1.
What is the InChIKey of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is VAPMFAITQBDSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-4-6-15(19,7-5-11)10-16-12(17)8-14(2,3)9-13(16)18/h11,19H,4-10H2,1-3H3.
What are the key properties of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 267.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 65121939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).