3-(3-hydroxyphenyl)-1-propylpiperidin-2-one

C14H19NO2 — CID 13070741

IUPAC3-(3-hydroxyphenyl)-1-propylpiperidin-2-one
SMILESCCCN1CCCC(c2cccc(O)c2)C1=O
InChIInChI=1S/C14H19NO2/c1-2-8-15-9-4-7-13(14(15)17)11-5-3-6-12(16)10-11/h3,5-6,10,13,16H,2,4,7-9H2,1H3
InChIKeyOXJNQDRDYXYHGW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.51
Rot. Bonds3

About 3-(3-hydroxyphenyl)-1-propylpiperidin-2-one

3-(3-hydroxyphenyl)-1-propylpiperidin-2-one (PubChem CID 13070741) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-1-propylpiperidin-2-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-1-propylpiperidin-2-one
PubChem CID13070741
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(3-hydroxyphenyl)-1-propylpiperidin-2-one
SMILESCCCN1CCCC(c2cccc(O)c2)C1=O
InChIInChI=1S/C14H19NO2/c1-2-8-15-9-4-7-13(14(15)17)11-5-3-6-12(16)10-11/h3,5-6,10,13,16H,2,4,7-9H2,1H3
InChIKeyOXJNQDRDYXYHGW-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-1-propylpiperidin-2-one?
The IUPAC name of 3-(3-hydroxyphenyl)-1-propylpiperidin-2-one (CID 13070741) is 3-(3-hydroxyphenyl)-1-propylpiperidin-2-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-1-propylpiperidin-2-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-1-propylpiperidin-2-one is CCCN1CCCC(c2cccc(O)c2)C1=O.
What is the InChIKey of 3-(3-hydroxyphenyl)-1-propylpiperidin-2-one?
The InChIKey is OXJNQDRDYXYHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-8-15-9-4-7-13(14(15)17)11-5-3-6-12(16)10-11/h3,5-6,10,13,16H,2,4,7-9H2,1H3.
What are the key properties of 3-(3-hydroxyphenyl)-1-propylpiperidin-2-one?
3-(3-hydroxyphenyl)-1-propylpiperidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-1-propylpiperidin-2-one is sourced from PubChem (CID 13070741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).