1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone

C13H17NO2 — CID 5122964

IUPAC1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C13H17NO2/c1-10(15)11-2-4-12(5-3-11)14-8-6-13(16)7-9-14/h2-5,13,16H,6-9H2,1H3
InChIKeyQIRDRCRLHRQMQT-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.85
Rot. Bonds2

About 1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone

1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone (PubChem CID 5122964) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
PubChem CID5122964
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C13H17NO2/c1-10(15)11-2-4-12(5-3-11)14-8-6-13(16)7-9-14/h2-5,13,16H,6-9H2,1H3
InChIKeyQIRDRCRLHRQMQT-UHFFFAOYSA-N
XLogP1.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone (CID 5122964) is 1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of 1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone?
The InChIKey is QIRDRCRLHRQMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(15)11-2-4-12(5-3-11)14-8-6-13(16)7-9-14/h2-5,13,16H,6-9H2,1H3.
What are the key properties of 1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone?
1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone has a molecular weight of 219.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 5122964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).