1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine

C20H33NO — CID 44563683

IUPAC1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine
SMILESCCCC1CCN(CCCOCCCc2ccccc2)CC1
InChIInChI=1S/C20H33NO/c1-2-8-19-12-15-21(16-13-19)14-7-18-22-17-6-11-20-9-4-3-5-10-20/h3-5,9-10,19H,2,6-8,11-18H2,1H3
InChIKeySTTDWMNBHHXZBO-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.54
Rot. Bonds10

About 1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine

1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine (PubChem CID 44563683) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine.

Molecular Properties

Compound Name1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine
PubChem CID44563683
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine
SMILESCCCC1CCN(CCCOCCCc2ccccc2)CC1
InChIInChI=1S/C20H33NO/c1-2-8-19-12-15-21(16-13-19)14-7-18-22-17-6-11-20-9-4-3-5-10-20/h3-5,9-10,19H,2,6-8,11-18H2,1H3
InChIKeySTTDWMNBHHXZBO-UHFFFAOYSA-N
XLogP4.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine?
The IUPAC name of 1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine (CID 44563683) is 1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine.
What is the SMILES notation for 1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine?
The canonical SMILES for 1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine is CCCC1CCN(CCCOCCCc2ccccc2)CC1.
What is the InChIKey of 1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine?
The InChIKey is STTDWMNBHHXZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-2-8-19-12-15-21(16-13-19)14-7-18-22-17-6-11-20-9-4-3-5-10-20/h3-5,9-10,19H,2,6-8,11-18H2,1H3.
What are the key properties of 1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine?
1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine has a molecular weight of 303.49 g/mol, XLogP of 4.54, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-phenylpropoxy)propyl]-4-propylpiperidine is sourced from PubChem (CID 44563683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).