piperidin-4-one;2,2,6,6-tetramethylpiperidine

C14H28N2O — CID 67803331

IUPACpiperidin-4-one;2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1.O=C1CCNCC1
InChIInChI=1S/C9H19N.C5H9NO/c1-8(2)6-5-7-9(3,4)10-8;7-5-1-3-6-4-2-5/h10H,5-7H2,1-4H3;6H,1-4H2
InChIKeyYOEXVTUSBVEHDL-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.26
Rot. Bonds

About piperidin-4-one;2,2,6,6-tetramethylpiperidine

piperidin-4-one;2,2,6,6-tetramethylpiperidine (PubChem CID 67803331) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is piperidin-4-one;2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Namepiperidin-4-one;2,2,6,6-tetramethylpiperidine
PubChem CID67803331
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Namepiperidin-4-one;2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1.O=C1CCNCC1
InChIInChI=1S/C9H19N.C5H9NO/c1-8(2)6-5-7-9(3,4)10-8;7-5-1-3-6-4-2-5/h10H,5-7H2,1-4H3;6H,1-4H2
InChIKeyYOEXVTUSBVEHDL-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-one;2,2,6,6-tetramethylpiperidine?
The IUPAC name of piperidin-4-one;2,2,6,6-tetramethylpiperidine (CID 67803331) is piperidin-4-one;2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for piperidin-4-one;2,2,6,6-tetramethylpiperidine?
The canonical SMILES for piperidin-4-one;2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1.O=C1CCNCC1.
What is the InChIKey of piperidin-4-one;2,2,6,6-tetramethylpiperidine?
The InChIKey is YOEXVTUSBVEHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C5H9NO/c1-8(2)6-5-7-9(3,4)10-8;7-5-1-3-6-4-2-5/h10H,5-7H2,1-4H3;6H,1-4H2.
What are the key properties of piperidin-4-one;2,2,6,6-tetramethylpiperidine?
piperidin-4-one;2,2,6,6-tetramethylpiperidine has a molecular weight of 240.39 g/mol, XLogP of 2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-one;2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 67803331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).