1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one

C15H21NO2 — CID 114678912

IUPAC1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCC(O)C(C)C1
InChIInChI=1S/C15H21NO2/c1-3-14(17)12-6-4-5-7-13(12)16-9-8-15(18)11(2)10-16/h4-7,11,15,18H,3,8-10H2,1-2H3
InChIKeySOSBRKLTIDCBNJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.49
Rot. Bonds3

About 1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one

1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one (PubChem CID 114678912) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one
PubChem CID114678912
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCC(O)C(C)C1
InChIInChI=1S/C15H21NO2/c1-3-14(17)12-6-4-5-7-13(12)16-9-8-15(18)11(2)10-16/h4-7,11,15,18H,3,8-10H2,1-2H3
InChIKeySOSBRKLTIDCBNJ-UHFFFAOYSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one?
The IUPAC name of 1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one (CID 114678912) is 1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one is CCC(=O)c1ccccc1N1CCC(O)C(C)C1.
What is the InChIKey of 1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one?
The InChIKey is SOSBRKLTIDCBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-14(17)12-6-4-5-7-13(12)16-9-8-15(18)11(2)10-16/h4-7,11,15,18H,3,8-10H2,1-2H3.
What are the key properties of 1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one?
1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one is sourced from PubChem (CID 114678912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).