[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone

C21H25NO3 — CID 2950589

IUPAC[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCC(O)CN2CCCCC2)cc1
InChIInChI=1S/C21H25NO3/c23-19(15-22-13-5-2-6-14-22)16-25-20-11-9-18(10-12-20)21(24)17-7-3-1-4-8-17/h1,3-4,7-12,19,23H,2,5-6,13-16H2
InChIKeyQAGYZDAQFJOVLF-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.14
Rot. Bonds7

About [4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone

[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone (PubChem CID 2950589) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone
PubChem CID2950589
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCC(O)CN2CCCCC2)cc1
InChIInChI=1S/C21H25NO3/c23-19(15-22-13-5-2-6-14-22)16-25-20-11-9-18(10-12-20)21(24)17-7-3-1-4-8-17/h1,3-4,7-12,19,23H,2,5-6,13-16H2
InChIKeyQAGYZDAQFJOVLF-UHFFFAOYSA-N
XLogP3.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone?
The IUPAC name of [4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone (CID 2950589) is [4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone?
The canonical SMILES for [4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(OCC(O)CN2CCCCC2)cc1.
What is the InChIKey of [4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone?
The InChIKey is QAGYZDAQFJOVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c23-19(15-22-13-5-2-6-14-22)16-25-20-11-9-18(10-12-20)21(24)17-7-3-1-4-8-17/h1,3-4,7-12,19,23H,2,5-6,13-16H2.
What are the key properties of [4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone?
[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone has a molecular weight of 339.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 2950589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).