1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one

C22H35NO2 — CID 54538092

IUPAC1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one
SMILESCCCCCC(CCOCCC(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H35NO2/c1-2-3-6-13-21(23-16-9-5-10-17-23)14-18-25-19-15-22(24)20-11-7-4-8-12-20/h4,7-8,11-12,21H,2-3,5-6,9-10,13-19H2,1H3
InChIKeyZBEVIZDXTKLEML-UHFFFAOYSA-N
MW345.53 g/mol
LogP5.10
Rot. Bonds12

About 1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one

1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one (PubChem CID 54538092) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is 1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one
PubChem CID54538092
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one
SMILESCCCCCC(CCOCCC(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H35NO2/c1-2-3-6-13-21(23-16-9-5-10-17-23)14-18-25-19-15-22(24)20-11-7-4-8-12-20/h4,7-8,11-12,21H,2-3,5-6,9-10,13-19H2,1H3
InChIKeyZBEVIZDXTKLEML-UHFFFAOYSA-N
XLogP5.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-heptoxy-1-phenylpropan-1-one
CID 116692052
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
benzoic acid;1-pentoxypentane
CID 70815519
1-decan-4-ylpiperidine
CID 142178259
1-phenylheptadecan-1-one
CID 577626
3-pyrrolidin-1-yldecanoic acid
CID 64526772
(3-oxo-3-phenylpropyl) octadecanoate
CID 57115638
4-bromo-1-phenyldecan-1-one
CID 69172735
4-fluoro-4-(4-hexyl-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 152779418
(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
CID 31275145
ethane;1-phenylpentan-1-one
CID 143728184

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one?
The IUPAC name of 1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one (CID 54538092) is 1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one?
The canonical SMILES for 1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one is CCCCCC(CCOCCC(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one?
The InChIKey is ZBEVIZDXTKLEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2/c1-2-3-6-13-21(23-16-9-5-10-17-23)14-18-25-19-15-22(24)20-11-7-4-8-12-20/h4,7-8,11-12,21H,2-3,5-6,9-10,13-19H2,1H3.
What are the key properties of 1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one?
1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one has a molecular weight of 345.53 g/mol, XLogP of 5.10, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one is sourced from PubChem (CID 54538092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).