3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one

C17H25NO2 — CID 11140338

IUPAC3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)C(CC(O)c2ccccc2)C(C)(C)N1
InChIInChI=1S/C17H25NO2/c1-16(2)11-15(20)13(17(3,4)18-16)10-14(19)12-8-6-5-7-9-12/h5-9,13-14,18-19H,10-11H2,1-4H3
InChIKeyJAAOEKVZUSTUEV-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.85
Rot. Bonds3

About 3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one

3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 11140338) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one
PubChem CID11140338
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)C(CC(O)c2ccccc2)C(C)(C)N1
InChIInChI=1S/C17H25NO2/c1-16(2)11-15(20)13(17(3,4)18-16)10-14(19)12-8-6-5-7-9-12/h5-9,13-14,18-19H,10-11H2,1-4H3
InChIKeyJAAOEKVZUSTUEV-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-[(2R)-2-hydroxy-2-phenylethyl]-3-methyl-3-prop-2-enyloxetan-2-one
CID 102163320
(R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol
CID 129440737
(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride
CID 2882767
4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 630125
2-(2-hydroxy-2-phenylethyl)-4-propan-2-ylcyclohexan-1-one
CID 79417162
3-(2-hydroxy-2-phenylethyl)piperidin-2-one
CID 104679238
2-cyclopentyl-1-phenylethanol
CID 15629098
3-hydroxy-2-[[(2S)-2-hydroxy-2-phenylethyl]iminomethyl]-5,5-dimethylcyclohex-2-en-1-one
CID 135873468
(1S,2R)-2-deuterio-1-phenylpropan-1-ol
CID 175690859
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
5-[(2R)-2-hydroxy-2-phenylethyl]imino-3,3-dimethylcyclohexan-1-one
CID 6946965
(4S,5R)-4-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-3-methylideneoxolan-2-one
CID 23255645

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of 3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one (CID 11140338) is 3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for 3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for 3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one is CC1(C)CC(=O)C(CC(O)c2ccccc2)C(C)(C)N1.
What is the InChIKey of 3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is JAAOEKVZUSTUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2)11-15(20)13(17(3,4)18-16)10-14(19)12-8-6-5-7-9-12/h5-9,13-14,18-19H,10-11H2,1-4H3.
What are the key properties of 3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one?
3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 275.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 11140338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).