3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one

C26H35NO2 — CID 11794905

IUPAC3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1OCCCCCCN1CCCCC1
InChIInChI=1S/C26H35NO2/c28-25(18-17-23-13-5-3-6-14-23)24-15-7-8-16-26(24)29-22-12-2-1-9-19-27-20-10-4-11-21-27/h3,5-8,13-16H,1-2,4,9-12,17-22H2
InChIKeyHCSNGJMUKGHQDH-UHFFFAOYSA-N
MW393.57 g/mol
LogP5.93
Rot. Bonds12

About 3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one

3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one (PubChem CID 11794905) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is 3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one
PubChem CID11794905
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1OCCCCCCN1CCCCC1
InChIInChI=1S/C26H35NO2/c28-25(18-17-23-13-5-3-6-14-23)24-15-7-8-16-26(24)29-22-12-2-1-9-19-27-20-10-4-11-21-27/h3,5-8,13-16H,1-2,4,9-12,17-22H2
InChIKeyHCSNGJMUKGHQDH-UHFFFAOYSA-N
XLogP5.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 55.93
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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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one?
The IUPAC name of 3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one (CID 11794905) is 3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one is O=C(CCc1ccccc1)c1ccccc1OCCCCCCN1CCCCC1.
What is the InChIKey of 3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one?
The InChIKey is HCSNGJMUKGHQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2/c28-25(18-17-23-13-5-3-6-14-23)24-15-7-8-16-26(24)29-22-12-2-1-9-19-27-20-10-4-11-21-27/h3,5-8,13-16H,1-2,4,9-12,17-22H2.
What are the key properties of 3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one?
3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one has a molecular weight of 393.57 g/mol, XLogP of 5.93, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[2-(6-piperidin-1-ylhexoxy)phenyl]propan-1-one is sourced from PubChem (CID 11794905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).