5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one

C25H33NO2 — CID 54372939

IUPAC5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
SMILESO=C(CCCCc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C25H33NO2/c27-25(13-6-5-12-22-10-3-1-4-11-22)23-14-16-24(17-15-23)28-21-9-20-26-18-7-2-8-19-26/h1,3-4,10-11,14-17H,2,5-9,12-13,18-21H2
InChIKeyUUMHPYYZKUJXOH-UHFFFAOYSA-N
MW379.54 g/mol
LogP5.54
Rot. Bonds11

About 5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one

5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one (PubChem CID 54372939) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is 5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one.

Molecular Properties

Compound Name5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
PubChem CID54372939
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
SMILESO=C(CCCCc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C25H33NO2/c27-25(13-6-5-12-22-10-3-1-4-11-22)23-14-16-24(17-15-23)28-21-9-20-26-18-7-2-8-19-26/h1,3-4,10-11,14-17H,2,5-9,12-13,18-21H2
InChIKeyUUMHPYYZKUJXOH-UHFFFAOYSA-N
XLogP5.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061
6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
CID 142626546
1-[3-[4-(4-fluorobutoxy)phenyl]propyl]pyrrolidine;6-(4-methoxyphenyl)-6-oxohexanamide
CID 143865998
4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol
CID 173415956
5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
CID 52937427
1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine
CID 173416034
6-(4-methoxyphenyl)-6-oxohexanamide;4-[2-[4-(3-pyrrolidin-1-ylpropyl)phenoxy]ethoxy]benzonitrile
CID 143934806
1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine
CID 173415993
[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone;hydrochloride
CID 53231551
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
CID 11417286
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82051060

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one?
The IUPAC name of 5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one (CID 54372939) is 5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one.
What is the SMILES notation for 5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one?
The canonical SMILES for 5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one is O=C(CCCCc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one?
The InChIKey is UUMHPYYZKUJXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c27-25(13-6-5-12-22-10-3-1-4-11-22)23-14-16-24(17-15-23)28-21-9-20-26-18-7-2-8-19-26/h1,3-4,10-11,14-17H,2,5-9,12-13,18-21H2.
What are the key properties of 5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one?
5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one has a molecular weight of 379.54 g/mol, XLogP of 5.54, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one is sourced from PubChem (CID 54372939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).