1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one

C14H15NO2 — CID 43502658

IUPAC1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C14H15NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-5,13,16H,8-11H2
InChIKeySDMYFEWUAGDEJB-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.02
Rot. Bonds

About 1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one

1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one (PubChem CID 43502658) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one
PubChem CID43502658
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C14H15NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-5,13,16H,8-11H2
InChIKeySDMYFEWUAGDEJB-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one (CID 43502658) is 1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one is O=C(C#Cc1ccccc1)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one?
The InChIKey is SDMYFEWUAGDEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-5,13,16H,8-11H2.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one?
1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one has a molecular weight of 229.28 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one is sourced from PubChem (CID 43502658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).