4-(5-methoxypentoxy)-4-phenylpiperidine

C17H27NO2 — CID 173252036

IUPAC4-(5-methoxypentoxy)-4-phenylpiperidine
SMILESCOCCCCCOC1(c2ccccc2)CCNCC1
InChIInChI=1S/C17H27NO2/c1-19-14-6-3-7-15-20-17(10-12-18-13-11-17)16-8-4-2-5-9-16/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3
InChIKeyFRNPPAGGOMNVQW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.10
Rot. Bonds8

About 4-(5-methoxypentoxy)-4-phenylpiperidine

4-(5-methoxypentoxy)-4-phenylpiperidine (PubChem CID 173252036) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(5-methoxypentoxy)-4-phenylpiperidine.

Molecular Properties

Compound Name4-(5-methoxypentoxy)-4-phenylpiperidine
PubChem CID173252036
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-(5-methoxypentoxy)-4-phenylpiperidine
SMILESCOCCCCCOC1(c2ccccc2)CCNCC1
InChIInChI=1S/C17H27NO2/c1-19-14-6-3-7-15-20-17(10-12-18-13-11-17)16-8-4-2-5-9-16/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3
InChIKeyFRNPPAGGOMNVQW-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(5-methoxypentoxy)-4-phenylpiperidine 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-(5-methoxypentoxy)-4-phenylpiperidine?
The IUPAC name of 4-(5-methoxypentoxy)-4-phenylpiperidine (CID 173252036) is 4-(5-methoxypentoxy)-4-phenylpiperidine.
What is the SMILES notation for 4-(5-methoxypentoxy)-4-phenylpiperidine?
The canonical SMILES for 4-(5-methoxypentoxy)-4-phenylpiperidine is COCCCCCOC1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-(5-methoxypentoxy)-4-phenylpiperidine?
The InChIKey is FRNPPAGGOMNVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-19-14-6-3-7-15-20-17(10-12-18-13-11-17)16-8-4-2-5-9-16/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3.
What are the key properties of 4-(5-methoxypentoxy)-4-phenylpiperidine?
4-(5-methoxypentoxy)-4-phenylpiperidine has a molecular weight of 277.41 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxypentoxy)-4-phenylpiperidine is sourced from PubChem (CID 173252036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).