(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).