2-methyl-3,4,5-tris(phenylmethoxy)piperidine

C27H31NO3 — CID 91043089

IUPAC2-methyl-3,4,5-tris(phenylmethoxy)piperidine
SMILESCC1NCC(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C27H31NO3/c1-21-26(30-19-23-13-7-3-8-14-23)27(31-20-24-15-9-4-10-16-24)25(17-28-21)29-18-22-11-5-2-6-12-22/h2-16,21,25-28H,17-20H2,1H3
InChIKeyUQSCXOUGZGOPRV-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.73
Rot. Bonds9

About 2-methyl-3,4,5-tris(phenylmethoxy)piperidine

2-methyl-3,4,5-tris(phenylmethoxy)piperidine (PubChem CID 91043089) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-methyl-3,4,5-tris(phenylmethoxy)piperidine.

Molecular Properties

Compound Name2-methyl-3,4,5-tris(phenylmethoxy)piperidine
PubChem CID91043089
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name2-methyl-3,4,5-tris(phenylmethoxy)piperidine
SMILESCC1NCC(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C27H31NO3/c1-21-26(30-19-23-13-7-3-8-14-23)27(31-20-24-15-9-4-10-16-24)25(17-28-21)29-18-22-11-5-2-6-12-22/h2-16,21,25-28H,17-20H2,1H3
InChIKeyUQSCXOUGZGOPRV-UHFFFAOYSA-N
XLogP4.73
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920
(3R,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 46783615
3,4,5-tris(phenylmethoxy)piperidine
CID 14642637
4-methyl-3-phenylmethoxypiperidine
CID 102954119
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one
CID 44550895
(1R)-1-[(2R,3S,4R)-3,4-bis(phenylmethoxy)pyrrolidin-2-yl]-4-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 11409253
2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 175706798
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,5-tris(phenylmethoxy)piperidine?
The IUPAC name of 2-methyl-3,4,5-tris(phenylmethoxy)piperidine (CID 91043089) is 2-methyl-3,4,5-tris(phenylmethoxy)piperidine.
What is the SMILES notation for 2-methyl-3,4,5-tris(phenylmethoxy)piperidine?
The canonical SMILES for 2-methyl-3,4,5-tris(phenylmethoxy)piperidine is CC1NCC(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 2-methyl-3,4,5-tris(phenylmethoxy)piperidine?
The InChIKey is UQSCXOUGZGOPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c1-21-26(30-19-23-13-7-3-8-14-23)27(31-20-24-15-9-4-10-16-24)25(17-28-21)29-18-22-11-5-2-6-12-22/h2-16,21,25-28H,17-20H2,1H3.
What are the key properties of 2-methyl-3,4,5-tris(phenylmethoxy)piperidine?
2-methyl-3,4,5-tris(phenylmethoxy)piperidine has a molecular weight of 417.55 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,5-tris(phenylmethoxy)piperidine is sourced from PubChem (CID 91043089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).