1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione

C13H22N2O3 — CID 114170682

IUPAC1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(C2(CN)CCOCC2)C(=O)C1
InChIInChI=1S/C13H22N2O3/c1-12(2)7-10(16)15(11(17)8-12)13(9-14)3-5-18-6-4-13/h3-9,14H2,1-2H3
InChIKeyFMRSJCRDDIFUBC-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.67
Rot. Bonds2

About 1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione

1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 114170682) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID114170682
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(C2(CN)CCOCC2)C(=O)C1
InChIInChI=1S/C13H22N2O3/c1-12(2)7-10(16)15(11(17)8-12)13(9-14)3-5-18-6-4-13/h3-9,14H2,1-2H3
InChIKeyFMRSJCRDDIFUBC-UHFFFAOYSA-N
XLogP0.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione (CID 114170682) is 1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(C2(CN)CCOCC2)C(=O)C1.
What is the InChIKey of 1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is FMRSJCRDDIFUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-12(2)7-10(16)15(11(17)8-12)13(9-14)3-5-18-6-4-13/h3-9,14H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione?
1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 254.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 114170682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).