(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine

C27H31NO2 — CID 10501247

IUPAC(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COC[C@H]2CC[C@H](COCc3ccccc3)N2Cc2ccccc2)cc1
InChIInChI=1S/C27H31NO2/c1-4-10-23(11-5-1)18-28-26(21-29-19-24-12-6-2-7-13-24)16-17-27(28)22-30-20-25-14-8-3-9-15-25/h1-15,26-27H,16-22H2/t26-,27-/m1/s1
InChIKeyOCWOSUWTWGKXNF-KAYWLYCHSA-N
MW401.55 g/mol
LogP5.45
Rot. Bonds10

About (2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine

(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine (PubChem CID 10501247) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is (2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
PubChem CID10501247
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Name(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COC[C@H]2CC[C@H](COCc3ccccc3)N2Cc2ccccc2)cc1
InChIInChI=1S/C27H31NO2/c1-4-10-23(11-5-1)18-28-26(21-29-19-24-12-6-2-7-13-24)16-17-27(28)22-30-20-25-14-8-3-9-15-25/h1-15,26-27H,16-22H2/t26-,27-/m1/s1
InChIKeyOCWOSUWTWGKXNF-KAYWLYCHSA-N
XLogP5.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
2-[(2S,5S,6R)-1-benzyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidin-2-yl]acetaldehyde
CID 10906357
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
[(2S,3S,4R,5S)-1-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol
CID 11092599
2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 10941465
2-(phenylmethoxymethyl)thiirane
CID 12015177
(2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine
CID 11817116
4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide
CID 53253656
(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine
CID 71714058
(2S,3S,4R,5R,6S)-1-benzyl-2-ethynyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine
CID 101249026
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
CID 155211250

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of (2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine (CID 10501247) is (2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for (2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for (2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine is c1ccc(COC[C@H]2CC[C@H](COCc3ccccc3)N2Cc2ccccc2)cc1.
What is the InChIKey of (2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine?
The InChIKey is OCWOSUWTWGKXNF-KAYWLYCHSA-N. The full InChI is InChI=1S/C27H31NO2/c1-4-10-23(11-5-1)18-28-26(21-29-19-24-12-6-2-7-13-24)16-17-27(28)22-30-20-25-14-8-3-9-15-25/h1-15,26-27H,16-22H2/t26-,27-/m1/s1.
What are the key properties of (2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine?
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine has a molecular weight of 401.55 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 10501247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).