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

C26H29NO3 — CID 14642638

IUPAC(3R,5S)-3,4,5-tris(phenylmethoxy)piperidine
SMILESc1ccc(COC2[C@@H](OCc3ccccc3)CNC[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-4-10-21(11-5-1)18-28-24-16-27-17-25(29-19-22-12-6-2-7-13-22)26(24)30-20-23-14-8-3-9-15-23/h1-15,24-27H,16-20H2/t24-,25+,26?
InChIKeyDWZXRUXEJHSRMU-IQCGEYIDSA-N
MW403.52 g/mol
LogP4.35
Rot. Bonds9

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

(3R,5S)-3,4,5-tris(phenylmethoxy)piperidine (PubChem CID 14642638) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is (3R,5S)-3,4,5-tris(phenylmethoxy)piperidine.

Molecular Properties

Compound Name(3R,5S)-3,4,5-tris(phenylmethoxy)piperidine
PubChem CID14642638
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name(3R,5S)-3,4,5-tris(phenylmethoxy)piperidine
SMILESc1ccc(COC2[C@@H](OCc3ccccc3)CNC[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-4-10-21(11-5-1)18-28-24-16-27-17-25(29-19-22-12-6-2-7-13-22)26(24)30-20-23-14-8-3-9-15-23/h1-15,24-27H,16-20H2/t24-,25+,26?
InChIKeyDWZXRUXEJHSRMU-IQCGEYIDSA-N
XLogP4.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,4,5-tris(phenylmethoxy)piperidine?
The IUPAC name of (3R,5S)-3,4,5-tris(phenylmethoxy)piperidine (CID 14642638) is (3R,5S)-3,4,5-tris(phenylmethoxy)piperidine.
What is the SMILES notation for (3R,5S)-3,4,5-tris(phenylmethoxy)piperidine?
The canonical SMILES for (3R,5S)-3,4,5-tris(phenylmethoxy)piperidine is c1ccc(COC2[C@@H](OCc3ccccc3)CNC[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of (3R,5S)-3,4,5-tris(phenylmethoxy)piperidine?
The InChIKey is DWZXRUXEJHSRMU-IQCGEYIDSA-N. The full InChI is InChI=1S/C26H29NO3/c1-4-10-21(11-5-1)18-28-24-16-27-17-25(29-19-22-12-6-2-7-13-22)26(24)30-20-23-14-8-3-9-15-23/h1-15,24-27H,16-20H2/t24-,25+,26?.
What are the key properties of (3R,5S)-3,4,5-tris(phenylmethoxy)piperidine?
(3R,5S)-3,4,5-tris(phenylmethoxy)piperidine has a molecular weight of 403.52 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,4,5-tris(phenylmethoxy)piperidine is sourced from PubChem (CID 14642638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).