ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one

C16H25NO2 — CID 143630259

IUPACethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one
SMILESCC.CC(=O)C(c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C14H19NO2.C2H6/c1-11(16)14(12-5-3-2-4-6-12)15-9-7-13(17)8-10-15;1-2/h2-6,13-14,17H,7-10H2,1H3;1-2H3
InChIKeyXTSLCLQLRPZRMR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.80
Rot. Bonds3

About ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one

ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one (PubChem CID 143630259) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one.

Molecular Properties

Compound Nameethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one
PubChem CID143630259
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one
SMILESCC.CC(=O)C(c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C14H19NO2.C2H6/c1-11(16)14(12-5-3-2-4-6-12)15-9-7-13(17)8-10-15;1-2/h2-6,13-14,17H,7-10H2,1H3;1-2H3
InChIKeyXTSLCLQLRPZRMR-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one
CID 70896720
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylbutan-2-one
CID 163432862
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide
CID 75503734
N-(3,5-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 51167515
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride
CID 89077825
N-(2,3-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 136519756
(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 124605958
2-(4-hydroxypiperidin-1-yl)-N-(6-methyl-3-pyridinyl)-2-phenylacetamide
CID 75503728
N-benzhydryl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51167538

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one?
The IUPAC name of ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one (CID 143630259) is ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one.
What is the SMILES notation for ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one?
The canonical SMILES for ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one is CC.CC(=O)C(c1ccccc1)N1CCC(O)CC1.
What is the InChIKey of ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one?
The InChIKey is XTSLCLQLRPZRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.C2H6/c1-11(16)14(12-5-3-2-4-6-12)15-9-7-13(17)8-10-15;1-2/h2-6,13-14,17H,7-10H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one?
ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one is sourced from PubChem (CID 143630259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).