(2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine

C36H41NO4 — CID 11215002

IUPAC(2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine
SMILESCC[C@@H]1N[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C36H41NO4/c1-2-32-34(39-24-29-17-9-4-10-18-29)36(41-26-31-21-13-6-14-22-31)35(40-25-30-19-11-5-12-20-30)33(37-32)27-38-23-28-15-7-3-8-16-28/h3-22,32-37H,2,23-27H2,1H3/t32-,33-,34-,35+,36+/m0/s1
InChIKeyRNZFVCSBTAMVBY-YQYWCZHNSA-N
MW551.73 g/mol
LogP6.71
Rot. Bonds14

About (2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine

(2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine (PubChem CID 11215002) has the molecular formula C36H41NO4 and a molecular weight of 551.73 g/mol. Its IUPAC name is (2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine.

Molecular Properties

Compound Name(2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine
PubChem CID11215002
Molecular FormulaC36H41NO4
Molecular Weight551.73 g/mol
Exact Mass551.30
IUPAC Name(2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine
SMILESCC[C@@H]1N[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C36H41NO4/c1-2-32-34(39-24-29-17-9-4-10-18-29)36(41-26-31-21-13-6-14-22-31)35(40-25-30-19-11-5-12-20-30)33(37-32)27-38-23-28-15-7-3-8-16-28/h3-22,32-37H,2,23-27H2,1H3/t32-,33-,34-,35+,36+/m0/s1
InChIKeyRNZFVCSBTAMVBY-YQYWCZHNSA-N
XLogP6.71
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide
CID 71484738
(3R,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 46783615
(2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol
CID 46201680
[(2R,3S,4R,5R,6R)-5-acetyloxy-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enylpiperidin-3-yl] acetate
CID 11202176
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
2-[(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-yl]-4,5-difluorophenol
CID 71480522
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
N-[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-yl]acetamide
CID 15386580
(4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-2-one
CID 102444690
ethane;phenylmethoxymethylbenzene
CID 90943549
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine?
The IUPAC name of (2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine (CID 11215002) is (2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine.
What is the SMILES notation for (2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine?
The canonical SMILES for (2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine is CC[C@@H]1N[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine?
The InChIKey is RNZFVCSBTAMVBY-YQYWCZHNSA-N. The full InChI is InChI=1S/C36H41NO4/c1-2-32-34(39-24-29-17-9-4-10-18-29)36(41-26-31-21-13-6-14-22-31)35(40-25-30-19-11-5-12-20-30)33(37-32)27-38-23-28-15-7-3-8-16-28/h3-22,32-37H,2,23-27H2,1H3/t32-,33-,34-,35+,36+/m0/s1.
What are the key properties of (2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine?
(2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine has a molecular weight of 551.73 g/mol, XLogP of 6.71, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine is sourced from PubChem (CID 11215002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).