1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone

C26H44N2O — CID 159951364

IUPAC1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
SMILESCC1(C)CCCC(C)(C)N1C(=O)c1ccccc1.CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C16H23NO.C10H21N/c1-15(2)11-8-12-16(3,4)17(15)14(18)13-9-6-5-7-10-13;1-9(2)7-6-8-10(3,4)11(9)5/h5-7,9-10H,8,11-12H2,1-4H3;6-8H2,1-5H3
InChIKeyOCDQAYYUAPSOES-UHFFFAOYSA-N
MW400.65 g/mol
LogP6.53
Rot. Bonds1

About 1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone

1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone (PubChem CID 159951364) has the molecular formula C26H44N2O and a molecular weight of 400.65 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
PubChem CID159951364
Molecular FormulaC26H44N2O
Molecular Weight400.65 g/mol
Exact Mass400.35
IUPAC Name1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
SMILESCC1(C)CCCC(C)(C)N1C(=O)c1ccccc1.CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C16H23NO.C10H21N/c1-15(2)11-8-12-16(3,4)17(15)14(18)13-9-6-5-7-10-13;1-9(2)7-6-8-10(3,4)11(9)5/h5-7,9-10H,8,11-12H2,1-4H3;6-8H2,1-5H3
InChIKeyOCDQAYYUAPSOES-UHFFFAOYSA-N
XLogP6.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.65
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone?
The IUPAC name of 1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone (CID 159951364) is 1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone.
What is the SMILES notation for 1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone?
The canonical SMILES for 1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone is CC1(C)CCCC(C)(C)N1C(=O)c1ccccc1.CN1C(C)(C)CCCC1(C)C.
What is the InChIKey of 1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone?
The InChIKey is OCDQAYYUAPSOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.C10H21N/c1-15(2)11-8-12-16(3,4)17(15)14(18)13-9-6-5-7-10-13;1-9(2)7-6-8-10(3,4)11(9)5/h5-7,9-10H,8,11-12H2,1-4H3;6-8H2,1-5H3.
What are the key properties of 1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone?
1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone has a molecular weight of 400.65 g/mol, XLogP of 6.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone is sourced from PubChem (CID 159951364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).