1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

C17H32N2O2 — CID 131918733

IUPAC1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)N2CCCC(O)CC2)CC(C)(C)N1
InChIInChI=1S/C17H32N2O2/c1-16(2)11-13(12-17(3,4)18-16)10-15(21)19-8-5-6-14(20)7-9-19/h13-14,18,20H,5-12H2,1-4H3
InChIKeyXMRHHZKNBMZEIP-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.31
Rot. Bonds2

About 1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (PubChem CID 131918733) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
PubChem CID131918733
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)N2CCCC(O)CC2)CC(C)(C)N1
InChIInChI=1S/C17H32N2O2/c1-16(2)11-13(12-17(3,4)18-16)10-15(21)19-8-5-6-14(20)7-9-19/h13-14,18,20H,5-12H2,1-4H3
InChIKeyXMRHHZKNBMZEIP-UHFFFAOYSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 154917926
1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 133134616
1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 135115085
1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 46999292
3-ethyl-1-(4-hydroxyazepan-1-yl)-3-methylpentan-1-one
CID 166782894
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxyazepan-1-yl)ethanone
CID 131889726
1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone
CID 90697781
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 154913701
1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one
CID 164869646
2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276015

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (CID 131918733) is 1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is CC1(C)CC(CC(=O)N2CCCC(O)CC2)CC(C)(C)N1.
What is the InChIKey of 1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The InChIKey is XMRHHZKNBMZEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2)11-13(12-17(3,4)18-16)10-15(21)19-8-5-6-14(20)7-9-19/h13-14,18,20H,5-12H2,1-4H3.
What are the key properties of 1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone has a molecular weight of 296.45 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 131918733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).