2-methyl-1-(3-phenoxypropyl)piperidine

C15H23NO — CID 3048077

IUPAC2-methyl-1-(3-phenoxypropyl)piperidine
SMILESCC1CCCCN1CCCOc1ccccc1
InChIInChI=1S/C15H23NO/c1-14-8-5-6-11-16(14)12-7-13-17-15-9-3-2-4-10-15/h2-4,9-10,14H,5-8,11-13H2,1H3
InChIKeyOTMLATMCCJDRRG-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.33
Rot. Bonds5

About 2-methyl-1-(3-phenoxypropyl)piperidine

2-methyl-1-(3-phenoxypropyl)piperidine (PubChem CID 3048077) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-methyl-1-(3-phenoxypropyl)piperidine.

Molecular Properties

Compound Name2-methyl-1-(3-phenoxypropyl)piperidine
PubChem CID3048077
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-methyl-1-(3-phenoxypropyl)piperidine
SMILESCC1CCCCN1CCCOc1ccccc1
InChIInChI=1S/C15H23NO/c1-14-8-5-6-11-16(14)12-7-13-17-15-9-3-2-4-10-15/h2-4,9-10,14H,5-8,11-13H2,1H3
InChIKeyOTMLATMCCJDRRG-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.33
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 2-methyl-1-(3-phenoxypropyl)piperidine?
The IUPAC name of 2-methyl-1-(3-phenoxypropyl)piperidine (CID 3048077) is 2-methyl-1-(3-phenoxypropyl)piperidine.
What is the SMILES notation for 2-methyl-1-(3-phenoxypropyl)piperidine?
The canonical SMILES for 2-methyl-1-(3-phenoxypropyl)piperidine is CC1CCCCN1CCCOc1ccccc1.
What is the InChIKey of 2-methyl-1-(3-phenoxypropyl)piperidine?
The InChIKey is OTMLATMCCJDRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14-8-5-6-11-16(14)12-7-13-17-15-9-3-2-4-10-15/h2-4,9-10,14H,5-8,11-13H2,1H3.
What are the key properties of 2-methyl-1-(3-phenoxypropyl)piperidine?
2-methyl-1-(3-phenoxypropyl)piperidine has a molecular weight of 233.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenoxypropyl)piperidine is sourced from PubChem (CID 3048077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).