1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one

C22H35NO — CID 59335457

IUPAC1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1C(C)(C)CC(Cc2cc(C)c(C)c(C)c2)CC1(C)C
InChIInChI=1S/C22H35NO/c1-9-20(24)23-21(5,6)13-19(14-22(23,7)8)12-18-10-15(2)17(4)16(3)11-18/h10-11,19H,9,12-14H2,1-8H3
InChIKeyHFTCZRWCHRWLLZ-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.36
Rot. Bonds3

About 1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one

1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 59335457) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one
PubChem CID59335457
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1C(C)(C)CC(Cc2cc(C)c(C)c(C)c2)CC1(C)C
InChIInChI=1S/C22H35NO/c1-9-20(24)23-21(5,6)13-19(14-22(23,7)8)12-18-10-15(2)17(4)16(3)11-18/h10-11,19H,9,12-14H2,1-8H3
InChIKeyHFTCZRWCHRWLLZ-UHFFFAOYSA-N
XLogP5.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one (CID 59335457) is 1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one is CCC(=O)N1C(C)(C)CC(Cc2cc(C)c(C)c(C)c2)CC1(C)C.
What is the InChIKey of 1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is HFTCZRWCHRWLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-9-20(24)23-21(5,6)13-19(14-22(23,7)8)12-18-10-15(2)17(4)16(3)11-18/h10-11,19H,9,12-14H2,1-8H3.
What are the key properties of 1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one?
1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 329.53 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2,6,6-tetramethyl-4-[(3,4,5-trimethylphenyl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 59335457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).