4-[3-(3,5-dimethylphenoxy)propoxy]piperidine

C16H25NO2 — CID 28803106

IUPAC4-[3-(3,5-dimethylphenoxy)propoxy]piperidine
SMILESCc1cc(C)cc(OCCCOC2CCNCC2)c1
InChIInChI=1S/C16H25NO2/c1-13-10-14(2)12-16(11-13)19-9-3-8-18-15-4-6-17-7-5-15/h10-12,15,17H,3-9H2,1-2H3
InChIKeyHXWWBBVNHRGBOT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.84
Rot. Bonds6

About 4-[3-(3,5-dimethylphenoxy)propoxy]piperidine

4-[3-(3,5-dimethylphenoxy)propoxy]piperidine (PubChem CID 28803106) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylphenoxy)propoxy]piperidine.

Molecular Properties

Compound Name4-[3-(3,5-dimethylphenoxy)propoxy]piperidine
PubChem CID28803106
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[3-(3,5-dimethylphenoxy)propoxy]piperidine
SMILESCc1cc(C)cc(OCCCOC2CCNCC2)c1
InChIInChI=1S/C16H25NO2/c1-13-10-14(2)12-16(11-13)19-9-3-8-18-15-4-6-17-7-5-15/h10-12,15,17H,3-9H2,1-2H3
InChIKeyHXWWBBVNHRGBOT-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[3-(3,5-dimethylphenoxy)propoxy]piperidine?
The IUPAC name of 4-[3-(3,5-dimethylphenoxy)propoxy]piperidine (CID 28803106) is 4-[3-(3,5-dimethylphenoxy)propoxy]piperidine.
What is the SMILES notation for 4-[3-(3,5-dimethylphenoxy)propoxy]piperidine?
The canonical SMILES for 4-[3-(3,5-dimethylphenoxy)propoxy]piperidine is Cc1cc(C)cc(OCCCOC2CCNCC2)c1.
What is the InChIKey of 4-[3-(3,5-dimethylphenoxy)propoxy]piperidine?
The InChIKey is HXWWBBVNHRGBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-10-14(2)12-16(11-13)19-9-3-8-18-15-4-6-17-7-5-15/h10-12,15,17H,3-9H2,1-2H3.
What are the key properties of 4-[3-(3,5-dimethylphenoxy)propoxy]piperidine?
4-[3-(3,5-dimethylphenoxy)propoxy]piperidine has a molecular weight of 263.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylphenoxy)propoxy]piperidine is sourced from PubChem (CID 28803106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).