3,4,5-tris(phenylmethoxy)piperidine

C26H29NO3 — CID 14642637

IUPAC3,4,5-tris(phenylmethoxy)piperidine
SMILESc1ccc(COC2CNCC(OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-4-10-21(11-5-1)18-28-24-16-27-17-25(29-19-22-12-6-2-7-13-22)26(24)30-20-23-14-8-3-9-15-23/h1-15,24-27H,16-20H2
InChIKeyDWZXRUXEJHSRMU-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.35
Rot. Bonds9

About 3,4,5-tris(phenylmethoxy)piperidine

3,4,5-tris(phenylmethoxy)piperidine (PubChem CID 14642637) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 3,4,5-tris(phenylmethoxy)piperidine.

Molecular Properties

Compound Name3,4,5-tris(phenylmethoxy)piperidine
PubChem CID14642637
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name3,4,5-tris(phenylmethoxy)piperidine
SMILESc1ccc(COC2CNCC(OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-4-10-21(11-5-1)18-28-24-16-27-17-25(29-19-22-12-6-2-7-13-22)26(24)30-20-23-14-8-3-9-15-23/h1-15,24-27H,16-20H2
InChIKeyDWZXRUXEJHSRMU-UHFFFAOYSA-N
XLogP4.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S,5R)-3,4,5-tris(phenylmethoxy)-1,2,3,4,5,8-hexahydroazocine
CID 174039635
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
2-methyl-3,4,5-tris(phenylmethoxy)piperidine
CID 91043089
4-methyl-3-phenylmethoxypiperidine
CID 102954119
(3R,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 46783615
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(3S,5R)-3,4,5-tris(phenylmethoxy)piperidine-1-carbaldehyde
CID 175873716
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 157039183
3-(phenylmethoxymethoxy)azetidine
CID 106938173
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(phenylmethoxy)piperidine?
The IUPAC name of 3,4,5-tris(phenylmethoxy)piperidine (CID 14642637) is 3,4,5-tris(phenylmethoxy)piperidine.
What is the SMILES notation for 3,4,5-tris(phenylmethoxy)piperidine?
The canonical SMILES for 3,4,5-tris(phenylmethoxy)piperidine is c1ccc(COC2CNCC(OCc3ccccc3)C2OCc2ccccc2)cc1.
What is the InChIKey of 3,4,5-tris(phenylmethoxy)piperidine?
The InChIKey is DWZXRUXEJHSRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-4-10-21(11-5-1)18-28-24-16-27-17-25(29-19-22-12-6-2-7-13-22)26(24)30-20-23-14-8-3-9-15-23/h1-15,24-27H,16-20H2.
What are the key properties of 3,4,5-tris(phenylmethoxy)piperidine?
3,4,5-tris(phenylmethoxy)piperidine has a molecular weight of 403.52 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(phenylmethoxy)piperidine is sourced from PubChem (CID 14642637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).