3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one

C17H25NO2 — CID 139084209

IUPAC3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
SMILESCCC1(CC)CCCN([C@@H](CO)c2ccccc2)C1=O
InChIInChI=1S/C17H25NO2/c1-3-17(4-2)11-8-12-18(16(17)20)15(13-19)14-9-6-5-7-10-14/h5-7,9-10,15,19H,3-4,8,11-13H2,1-2H3/t15-/m0/s1
InChIKeyZDFQHHDYUVSSIP-HNNXBMFYSA-N
MW275.39 g/mol
LogP3.15
Rot. Bonds5

About 3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one

3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one (PubChem CID 139084209) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
PubChem CID139084209
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
SMILESCCC1(CC)CCCN([C@@H](CO)c2ccccc2)C1=O
InChIInChI=1S/C17H25NO2/c1-3-17(4-2)11-8-12-18(16(17)20)15(13-19)14-9-6-5-7-10-14/h5-7,9-10,15,19H,3-4,8,11-13H2,1-2H3/t15-/m0/s1
InChIKeyZDFQHHDYUVSSIP-HNNXBMFYSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The IUPAC name of 3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one (CID 139084209) is 3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for 3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The canonical SMILES for 3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one is CCC1(CC)CCCN([C@@H](CO)c2ccccc2)C1=O.
What is the InChIKey of 3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The InChIKey is ZDFQHHDYUVSSIP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-17(4-2)11-8-12-18(16(17)20)15(13-19)14-9-6-5-7-10-14/h5-7,9-10,15,19H,3-4,8,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 139084209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).