1-(4-phenylmethoxybutyl)piperidine

C16H25NO — CID 54129740

IUPAC1-(4-phenylmethoxybutyl)piperidine
SMILESc1ccc(COCCCCN2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-3-9-16(10-4-1)15-18-14-8-7-13-17-11-5-2-6-12-17/h1,3-4,9-10H,2,5-8,11-15H2
InChIKeyQWADWHWPZVDIPD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.47
Rot. Bonds7

About 1-(4-phenylmethoxybutyl)piperidine

1-(4-phenylmethoxybutyl)piperidine (PubChem CID 54129740) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-phenylmethoxybutyl)piperidine.

Molecular Properties

Compound Name1-(4-phenylmethoxybutyl)piperidine
PubChem CID54129740
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-phenylmethoxybutyl)piperidine
SMILESc1ccc(COCCCCN2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-3-9-16(10-4-1)15-18-14-8-7-13-17-11-5-2-6-12-17/h1,3-4,9-10H,2,5-8,11-15H2
InChIKeyQWADWHWPZVDIPD-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.47
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-(4-phenylmethoxybutyl)piperidine?
The IUPAC name of 1-(4-phenylmethoxybutyl)piperidine (CID 54129740) is 1-(4-phenylmethoxybutyl)piperidine.
What is the SMILES notation for 1-(4-phenylmethoxybutyl)piperidine?
The canonical SMILES for 1-(4-phenylmethoxybutyl)piperidine is c1ccc(COCCCCN2CCCCC2)cc1.
What is the InChIKey of 1-(4-phenylmethoxybutyl)piperidine?
The InChIKey is QWADWHWPZVDIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-9-16(10-4-1)15-18-14-8-7-13-17-11-5-2-6-12-17/h1,3-4,9-10H,2,5-8,11-15H2.
What are the key properties of 1-(4-phenylmethoxybutyl)piperidine?
1-(4-phenylmethoxybutyl)piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxybutyl)piperidine is sourced from PubChem (CID 54129740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).