(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol

C21H24F3NO — CID 95560258

IUPAC(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC[C@](O)(c1cccc(C(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H24F3NO/c1-2-20(26,17-9-6-10-18(13-17)21(22,23)24)19-11-12-25(15-19)14-16-7-4-3-5-8-16/h3-10,13,19,26H,2,11-12,14-15H2,1H3/t19-,20+/m1/s1
InChIKeyOKARETPOLGJSFX-UXHICEINSA-N
MW363.42 g/mol
LogP4.83
Rot. Bonds5

About (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol

(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 95560258) has the molecular formula C21H24F3NO and a molecular weight of 363.42 g/mol. Its IUPAC name is (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID95560258
Molecular FormulaC21H24F3NO
Molecular Weight363.42 g/mol
Exact Mass363.18
IUPAC Name(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC[C@](O)(c1cccc(C(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H24F3NO/c1-2-20(26,17-9-6-10-18(13-17)21(22,23)24)19-11-12-25(15-19)14-16-7-4-3-5-8-16/h3-10,13,19,26H,2,11-12,14-15H2,1H3/t19-,20+/m1/s1
InChIKeyOKARETPOLGJSFX-UXHICEINSA-N
XLogP4.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110535914
3-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 80677072
2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982590
1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 3049036
1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 83980891
2-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenyl-2-(3-propylphenyl)acetonitrile
CID 118458071
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512867
N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 68869568
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
(E)-N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]but-3-enamide
CID 139945871

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 95560258) is (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol is CC[C@](O)(c1cccc(C(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is OKARETPOLGJSFX-UXHICEINSA-N. The full InChI is InChI=1S/C21H24F3NO/c1-2-20(26,17-9-6-10-18(13-17)21(22,23)24)19-11-12-25(15-19)14-16-7-4-3-5-8-16/h3-10,13,19,26H,2,11-12,14-15H2,1H3/t19-,20+/m1/s1.
What are the key properties of (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 363.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 95560258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).