1-[3-(3,4-dimethylphenoxy)propyl]piperidine

C16H25NO — CID 2057747

IUPAC1-[3-(3,4-dimethylphenoxy)propyl]piperidine
SMILESCc1ccc(OCCCN2CCCCC2)cc1C
InChIInChI=1S/C16H25NO/c1-14-7-8-16(13-15(14)2)18-12-6-11-17-9-4-3-5-10-17/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyJMDNTTQEAFPDQI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.56
Rot. Bonds5

About 1-[3-(3,4-dimethylphenoxy)propyl]piperidine

1-[3-(3,4-dimethylphenoxy)propyl]piperidine (PubChem CID 2057747) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(3,4-dimethylphenoxy)propyl]piperidine
PubChem CID2057747
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[3-(3,4-dimethylphenoxy)propyl]piperidine
SMILESCc1ccc(OCCCN2CCCCC2)cc1C
InChIInChI=1S/C16H25NO/c1-14-7-8-16(13-15(14)2)18-12-6-11-17-9-4-3-5-10-17/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyJMDNTTQEAFPDQI-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.56
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-(3,4-dimethylphenoxy)propyl]piperidine?
The IUPAC name of 1-[3-(3,4-dimethylphenoxy)propyl]piperidine (CID 2057747) is 1-[3-(3,4-dimethylphenoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(3,4-dimethylphenoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(3,4-dimethylphenoxy)propyl]piperidine is Cc1ccc(OCCCN2CCCCC2)cc1C.
What is the InChIKey of 1-[3-(3,4-dimethylphenoxy)propyl]piperidine?
The InChIKey is JMDNTTQEAFPDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14-7-8-16(13-15(14)2)18-12-6-11-17-9-4-3-5-10-17/h7-8,13H,3-6,9-12H2,1-2H3.
What are the key properties of 1-[3-(3,4-dimethylphenoxy)propyl]piperidine?
1-[3-(3,4-dimethylphenoxy)propyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylphenoxy)propyl]piperidine is sourced from PubChem (CID 2057747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).