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

C33H35NO3 — CID 14642636

IUPAC(3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine
SMILESc1ccc(COC2[C@@H](OCc3ccccc3)CN(Cc3ccccc3)C[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C33H35NO3/c1-5-13-27(14-6-1)21-34-22-31(35-24-28-15-7-2-8-16-28)33(37-26-30-19-11-4-12-20-30)32(23-34)36-25-29-17-9-3-10-18-29/h1-20,31-33H,21-26H2/t31-,32+,33?
InChIKeyVXXVQDBXZVZHBQ-IQHLECGASA-N
MW493.65 g/mol
LogP6.26
Rot. Bonds11

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

(3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine (PubChem CID 14642636) has the molecular formula C33H35NO3 and a molecular weight of 493.65 g/mol. Its IUPAC name is (3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine.

Molecular Properties

Compound Name(3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine
PubChem CID14642636
Molecular FormulaC33H35NO3
Molecular Weight493.65 g/mol
Exact Mass493.26
IUPAC Name(3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine
SMILESc1ccc(COC2[C@@H](OCc3ccccc3)CN(Cc3ccccc3)C[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C33H35NO3/c1-5-13-27(14-6-1)21-34-22-31(35-24-28-15-7-2-8-16-28)33(37-26-30-19-11-4-12-20-30)32(23-34)36-25-29-17-9-3-10-18-29/h1-20,31-33H,21-26H2/t31-,32+,33?
InChIKeyVXXVQDBXZVZHBQ-IQHLECGASA-N
XLogP6.26
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine?
The IUPAC name of (3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine (CID 14642636) is (3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine.
What is the SMILES notation for (3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine?
The canonical SMILES for (3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine is c1ccc(COC2[C@@H](OCc3ccccc3)CN(Cc3ccccc3)C[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of (3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine?
The InChIKey is VXXVQDBXZVZHBQ-IQHLECGASA-N. The full InChI is InChI=1S/C33H35NO3/c1-5-13-27(14-6-1)21-34-22-31(35-24-28-15-7-2-8-16-28)33(37-26-30-19-11-4-12-20-30)32(23-34)36-25-29-17-9-3-10-18-29/h1-20,31-33H,21-26H2/t31-,32+,33?.
What are the key properties of (3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine?
(3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine has a molecular weight of 493.65 g/mol, XLogP of 6.26, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-benzyl-3,4,5-tris(phenylmethoxy)piperidine is sourced from PubChem (CID 14642636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).