1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione

C14H23NO3 — CID 114147569

IUPAC1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CC2CCCC(O)C2)C(=O)C1
InChIInChI=1S/C14H23NO3/c1-14(2)7-12(17)15(13(18)8-14)9-10-4-3-5-11(16)6-10/h10-11,16H,3-9H2,1-2H3
InChIKeyRFWPSNNMFZJWKD-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.71
Rot. Bonds2

About 1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione

1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 114147569) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID114147569
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CC2CCCC(O)C2)C(=O)C1
InChIInChI=1S/C14H23NO3/c1-14(2)7-12(17)15(13(18)8-14)9-10-4-3-5-11(16)6-10/h10-11,16H,3-9H2,1-2H3
InChIKeyRFWPSNNMFZJWKD-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.71
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-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 106131586
3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 106131105
2-[(3-hydroxycyclopentyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 106131148
4-[(3-hydroxycyclohexyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 106131696
4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione
CID 62930379
3-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 106131519
3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 114148602
3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol
CID 106131669
2-[(3-hydroxycyclohexyl)methyl]-1,2-benzothiazol-3-one
CID 114147581
3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 106137696
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 65121939
1-(cycloundecylmethyl)piperidine-2,6-dione
CID 177141930

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione (CID 114147569) is 1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(CC2CCCC(O)C2)C(=O)C1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is RFWPSNNMFZJWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2)7-12(17)15(13(18)8-14)9-10-4-3-5-11(16)6-10/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 253.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 114147569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).