(3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol

C20H25NO2 — CID 10638793

IUPAC(3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol
SMILESCCC(O)(c1ccccc1)[C@H]1C[C@@H](O)CN1Cc1ccccc1
InChIInChI=1S/C20H25NO2/c1-2-20(23,17-11-7-4-8-12-17)19-13-18(22)15-21(19)14-16-9-5-3-6-10-16/h3-12,18-19,22-23H,2,13-15H2,1H3/t18-,19-,20?/m1/s1
InChIKeyJHLYUQMPDMDPOY-LEAGNCFPSA-N
MW311.43 g/mol
LogP2.92
Rot. Bonds5

About (3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol

(3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol (PubChem CID 10638793) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol
PubChem CID10638793
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol
SMILESCCC(O)(c1ccccc1)[C@H]1C[C@@H](O)CN1Cc1ccccc1
InChIInChI=1S/C20H25NO2/c1-2-20(23,17-11-7-4-8-12-17)19-13-18(22)15-21(19)14-16-9-5-3-6-10-16/h3-12,18-19,22-23H,2,13-15H2,1H3/t18-,19-,20?/m1/s1
InChIKeyJHLYUQMPDMDPOY-LEAGNCFPSA-N
XLogP2.92
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol
CID 11792818
(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
CID 14117026
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
[(2R)-1-benzylazetidin-2-yl]-diphenylmethanol
CID 12035662
2-(1-benzylaziridin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 102132655
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351284
(3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol
CID 11561465
1,6-dibenzyl-3-hydroxy-2,3,4,4a,5,7a-hexahydropyrrolo[3,4-b]pyridin-7-one
CID 134363462
(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 11469758
(3R,4S,5S)-1-benzyl-4,5-dimethylpyrrolidin-3-ol
CID 118651472
1,2-dibenzylpyrazolidin-4-ol
CID 12543345
(2R,4R)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 86731621

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol (CID 10638793) is (3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol is CCC(O)(c1ccccc1)[C@H]1C[C@@H](O)CN1Cc1ccccc1.
What is the InChIKey of (3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol?
The InChIKey is JHLYUQMPDMDPOY-LEAGNCFPSA-N. The full InChI is InChI=1S/C20H25NO2/c1-2-20(23,17-11-7-4-8-12-17)19-13-18(22)15-21(19)14-16-9-5-3-6-10-16/h3-12,18-19,22-23H,2,13-15H2,1H3/t18-,19-,20?/m1/s1.
What are the key properties of (3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol?
(3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol has a molecular weight of 311.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 10638793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).