(3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol

C24H25NO2 — CID 11792818

IUPAC(3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](C(O)(c2ccccc2)c2ccccc2)N(Cc2ccccc2)C1
InChIInChI=1S/C24H25NO2/c26-22-16-23(25(18-22)17-19-10-4-1-5-11-19)24(27,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-23,26-27H,16-18H2/t22-,23+/m1/s1
InChIKeyQYSMEBGSHQLGQL-PKTZIBPZSA-N
MW359.47 g/mol
LogP3.56
Rot. Bonds5

About (3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol

(3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol (PubChem CID 11792818) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol
PubChem CID11792818
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](C(O)(c2ccccc2)c2ccccc2)N(Cc2ccccc2)C1
InChIInChI=1S/C24H25NO2/c26-22-16-23(25(18-22)17-19-10-4-1-5-11-19)24(27,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-23,26-27H,16-18H2/t22-,23+/m1/s1
InChIKeyQYSMEBGSHQLGQL-PKTZIBPZSA-N
XLogP3.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol
CID 10638793
[(2R)-1-benzylazetidin-2-yl]-diphenylmethanol
CID 12035662
(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
CID 14117026
(3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol
CID 139743860
[(2S)-1-methylaziridin-2-yl]-diphenylmethanol
CID 101268186
1,6-dibenzyl-3-hydroxy-2,3,4,4a,5,7a-hexahydropyrrolo[3,4-b]pyridin-7-one
CID 134363462
(3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol
CID 11561465
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
2-(1-benzylaziridin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 102132655
1,2-dibenzylpyrazolidin-4-ol
CID 12543345
(2R,4R)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 86731621
(4R)-1-benzyl-4-[hydroxy(diphenyl)methyl]pyrrolidin-2-one
CID 92845757

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol (CID 11792818) is (3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol is O[C@@H]1C[C@@H](C(O)(c2ccccc2)c2ccccc2)N(Cc2ccccc2)C1.
What is the InChIKey of (3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is QYSMEBGSHQLGQL-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H25NO2/c26-22-16-23(25(18-22)17-19-10-4-1-5-11-19)24(27,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-23,26-27H,16-18H2/t22-,23+/m1/s1.
What are the key properties of (3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol?
(3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 359.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 11792818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).