(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine

C41H43NO4 — CID 124545934

IUPAC(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
SMILESc1ccc(COC[C@@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)CN2Cc2ccccc2)cc1
InChIInChI=1S/C41H43NO4/c1-6-16-33(17-7-1)26-42-27-39(44-29-35-20-10-3-11-21-35)41(46-31-37-24-14-5-15-25-37)40(45-30-36-22-12-4-13-23-36)38(42)32-43-28-34-18-8-2-9-19-34/h1-25,38-41H,26-32H2/t38-,39-,40+,41+/m1/s1
InChIKeyUMMMXEDKZOXSCP-BHTPUMDESA-N
MW613.80 g/mol
LogP7.84
Rot. Bonds15

About (2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine

(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine (PubChem CID 124545934) has the molecular formula C41H43NO4 and a molecular weight of 613.80 g/mol. Its IUPAC name is (2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine.

Molecular Properties

Compound Name(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
PubChem CID124545934
Molecular FormulaC41H43NO4
Molecular Weight613.80 g/mol
Exact Mass613.32
IUPAC Name(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
SMILESc1ccc(COC[C@@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)CN2Cc2ccccc2)cc1
InChIInChI=1S/C41H43NO4/c1-6-16-33(17-7-1)26-42-27-39(44-29-35-20-10-3-11-21-35)41(46-31-37-24-14-5-15-25-37)40(45-30-36-22-12-4-13-23-36)38(42)32-43-28-34-18-8-2-9-19-34/h1-25,38-41H,26-32H2/t38-,39-,40+,41+/m1/s1
InChIKeyUMMMXEDKZOXSCP-BHTPUMDESA-N
XLogP7.84
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.80
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 58622824
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CID 135009168
(2S,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-propylpiperidine
CID 158056733
2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol
CID 45357835
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-prop-2-enylpiperidine
CID 44820250
(2S,3R,4R,5S)-1-butyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 69117610
1-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
CID 18426108
(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(2-thiophen-2-ylethyl)piperidine
CID 157039498
(2S,3R,4R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 175844519
[(2S,3S,4R,5S)-1-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol
CID 11092599
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
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(2S,3R,4R,5S)-1-(2-fluorophenyl)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
The IUPAC name of (2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine (CID 124545934) is (2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine.
What is the SMILES notation for (2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
The canonical SMILES for (2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine is c1ccc(COC[C@@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)CN2Cc2ccccc2)cc1.
What is the InChIKey of (2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
The InChIKey is UMMMXEDKZOXSCP-BHTPUMDESA-N. The full InChI is InChI=1S/C41H43NO4/c1-6-16-33(17-7-1)26-42-27-39(44-29-35-20-10-3-11-21-35)41(46-31-37-24-14-5-15-25-37)40(45-30-36-22-12-4-13-23-36)38(42)32-43-28-34-18-8-2-9-19-34/h1-25,38-41H,26-32H2/t38-,39-,40+,41+/m1/s1.
What are the key properties of (2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine has a molecular weight of 613.80 g/mol, XLogP of 7.84, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine is sourced from PubChem (CID 124545934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).