(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine

C33H42N2O3 — CID 155286796

IUPAC(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
SMILESC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1C[C@@H]1CCCNC1
InChIInChI=1S/C33H42N2O3/c1-26-32(37-24-28-14-7-3-8-15-28)33(38-25-29-16-9-4-10-17-29)31(36-23-27-12-5-2-6-13-27)22-35(26)21-30-18-11-19-34-20-30/h2-10,12-17,26,30-34H,11,18-25H2,1H3/t26-,30-,31+,32-,33-/m1/s1
InChIKeyBLJYCQYYPZLHOF-VFBKNBMOSA-N
MW514.71 g/mol
LogP5.45
Rot. Bonds11

About (2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine

(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine (PubChem CID 155286796) has the molecular formula C33H42N2O3 and a molecular weight of 514.71 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
PubChem CID155286796
Molecular FormulaC33H42N2O3
Molecular Weight514.71 g/mol
Exact Mass514.32
IUPAC Name(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
SMILESC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1C[C@@H]1CCCNC1
InChIInChI=1S/C33H42N2O3/c1-26-32(37-24-28-14-7-3-8-15-28)33(38-25-29-16-9-4-10-17-29)31(36-23-27-12-5-2-6-13-27)22-35(26)21-30-18-11-19-34-20-30/h2-10,12-17,26,30-34H,11,18-25H2,1H3/t26-,30-,31+,32-,33-/m1/s1
InChIKeyBLJYCQYYPZLHOF-VFBKNBMOSA-N
XLogP5.45
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine with MolForge

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Related Compounds

2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 175706798
3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 157039183
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-(spiro[2.5]octan-6-ylmethyl)piperidine
CID 155721114
2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine
CID 155721185
4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 95895392
2-methyl-1-[4-[[(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 155286505
3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine
CID 119932171
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine
CID 155286497
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]piperidine
CID 155721008
4-methyl-3-phenylmethoxypiperidine
CID 102954119
(2R,3R,4R,5S)-1-[2-(2,3-difluorophenyl)ethyl]-2-methyl-3,4,5-tris(phenylmethoxy)piperidine
CID 155286705

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine?
The IUPAC name of (2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine (CID 155286796) is (2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine.
What is the SMILES notation for (2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine?
The canonical SMILES for (2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine is C[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1C[C@@H]1CCCNC1.
What is the InChIKey of (2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine?
The InChIKey is BLJYCQYYPZLHOF-VFBKNBMOSA-N. The full InChI is InChI=1S/C33H42N2O3/c1-26-32(37-24-28-14-7-3-8-15-28)33(38-25-29-16-9-4-10-17-29)31(36-23-27-12-5-2-6-13-27)22-35(26)21-30-18-11-19-34-20-30/h2-10,12-17,26,30-34H,11,18-25H2,1H3/t26-,30-,31+,32-,33-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine?
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine has a molecular weight of 514.71 g/mol, XLogP of 5.45, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine is sourced from PubChem (CID 155286796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).