1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one

C17H25NO2 — CID 114509918

IUPAC1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)c2ccccc2)CCC1O
InChIInChI=1S/C17H25NO2/c1-4-13-12-18(11-10-15(13)19)16(20)17(2,3)14-8-6-5-7-9-14/h5-9,13,15,19H,4,10-12H2,1-3H3
InChIKeyBXHKTYHDRWBPTG-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.58
Rot. Bonds3

About 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one

1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one (PubChem CID 114509918) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one
PubChem CID114509918
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)c2ccccc2)CCC1O
InChIInChI=1S/C17H25NO2/c1-4-13-12-18(11-10-15(13)19)16(20)17(2,3)14-8-6-5-7-9-14/h5-9,13,15,19H,4,10-12H2,1-3H3
InChIKeyBXHKTYHDRWBPTG-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one (CID 114509918) is 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one is CCC1CN(C(=O)C(C)(C)c2ccccc2)CCC1O.
What is the InChIKey of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is BXHKTYHDRWBPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-13-12-18(11-10-15(13)19)16(20)17(2,3)14-8-6-5-7-9-14/h5-9,13,15,19H,4,10-12H2,1-3H3.
What are the key properties of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one?
1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 114509918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).