3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine

C16H25NO2 — CID 68596368

IUPAC3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
SMILESCC(C)COc1ccccc1OCC1CCCNC1
InChIInChI=1S/C16H25NO2/c1-13(2)11-18-15-7-3-4-8-16(15)19-12-14-6-5-9-17-10-14/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3
InChIKeyLWRMGRCFVUZJAE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.10
Rot. Bonds6

About 3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine

3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine (PubChem CID 68596368) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
PubChem CID68596368
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
SMILESCC(C)COc1ccccc1OCC1CCCNC1
InChIInChI=1S/C16H25NO2/c1-13(2)11-18-15-7-3-4-8-16(15)19-12-14-6-5-9-17-10-14/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3
InChIKeyLWRMGRCFVUZJAE-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596622
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride
CID 68594805
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
3-[(2-methylsulfonylphenoxy)methyl]piperidine
CID 62348042
3-(piperidin-3-ylmethoxy)-2-(2-propan-2-yloxyphenoxy)pyridine
CID 68596079
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine?
The IUPAC name of 3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine (CID 68596368) is 3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine.
What is the SMILES notation for 3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine?
The canonical SMILES for 3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine is CC(C)COc1ccccc1OCC1CCCNC1.
What is the InChIKey of 3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine?
The InChIKey is LWRMGRCFVUZJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)11-18-15-7-3-4-8-16(15)19-12-14-6-5-9-17-10-14/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3.
What are the key properties of 3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine?
3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine has a molecular weight of 263.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine is sourced from PubChem (CID 68596368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).