1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone

C14H19NO2 — CID 2535117

IUPAC1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CN2CCCCC2)c1
InChIInChI=1S/C14H19NO2/c1-11(16)12-5-6-14(17)13(9-12)10-15-7-3-2-4-8-15/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyGHFAMDMJBIXKPC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.58
Rot. Bonds3

About 1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone

1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone (PubChem CID 2535117) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone
PubChem CID2535117
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CN2CCCCC2)c1
InChIInChI=1S/C14H19NO2/c1-11(16)12-5-6-14(17)13(9-12)10-15-7-3-2-4-8-15/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyGHFAMDMJBIXKPC-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone?
The IUPAC name of 1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone (CID 2535117) is 1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone is CC(=O)c1ccc(O)c(CN2CCCCC2)c1.
What is the InChIKey of 1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone?
The InChIKey is GHFAMDMJBIXKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(16)12-5-6-14(17)13(9-12)10-15-7-3-2-4-8-15/h5-6,9,17H,2-4,7-8,10H2,1H3.
What are the key properties of 1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone?
1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone is sourced from PubChem (CID 2535117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).