1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione

C13H21NO3 — CID 114179218

IUPAC1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(C2CCCCC2CO)C(=O)C1
InChIInChI=1S/C13H21NO3/c1-9-6-12(16)14(13(17)7-9)11-5-3-2-4-10(11)8-15/h9-11,15H,2-8H2,1H3
InChIKeyXBPWIEFJIPFBKV-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.32
Rot. Bonds2

About 1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione

1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione (PubChem CID 114179218) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione
PubChem CID114179218
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(C2CCCCC2CO)C(=O)C1
InChIInChI=1S/C13H21NO3/c1-9-6-12(16)14(13(17)7-9)11-5-3-2-4-10(11)8-15/h9-11,15H,2-8H2,1H3
InChIKeyXBPWIEFJIPFBKV-UHFFFAOYSA-N
XLogP1.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1Methylpropylcarbonyl)-2-(hydroxyethyl)-piperidine
CID 15376470
1-[2-(2-Hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 24284659
1-[2-(2-Hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 58983339
1-[4-(Hydroxymethyl)cyclohexyl]piperidin-2-one
CID 70972600
(4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one
CID 71104200
1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 71104203
Cyclohexylmethanol;1-piperidin-1-ylbutan-1-one
CID 164604565
cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone
CID 166647702
Cyclohexyl 2-(2-hydroxyethyl)piperidyl ketone
CID 3609765
2-Ethyl-1-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 24284934
cyclohexyl-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 42083441
cyclohexyl-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 42083442

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione (CID 114179218) is 1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione is CC1CC(=O)N(C2CCCCC2CO)C(=O)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione?
The InChIKey is XBPWIEFJIPFBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9-6-12(16)14(13(17)7-9)11-5-3-2-4-10(11)8-15/h9-11,15H,2-8H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione?
1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione has a molecular weight of 239.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 114179218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).