(3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine

C39H42F4N2O3 — CID 175865966

IUPAC(3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine
SMILESFC1(CN2C[C@H](OCc3ccccc3)C(OCc3ccccc3)[C@H](OCc3ccccc3)C2)CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C39H42F4N2O3/c40-38(20-22-45(23-21-38)34-19-11-10-18-33(34)39(41,42)43)29-44-24-35(46-26-30-12-4-1-5-13-30)37(48-28-32-16-8-3-9-17-32)36(25-44)47-27-31-14-6-2-7-15-31/h1-19,35-37H,20-29H2/t35-,36+,37?
InChIKeyCHMOTMIRCDHBLR-VUIRNMKQSA-N
MW662.77 g/mol
LogP8.09
Rot. Bonds12

About (3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine

(3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine (PubChem CID 175865966) has the molecular formula C39H42F4N2O3 and a molecular weight of 662.77 g/mol. Its IUPAC name is (3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine.

Molecular Properties

Compound Name(3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine
PubChem CID175865966
Molecular FormulaC39H42F4N2O3
Molecular Weight662.77 g/mol
Exact Mass662.31
IUPAC Name(3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine
SMILESFC1(CN2C[C@H](OCc3ccccc3)C(OCc3ccccc3)[C@H](OCc3ccccc3)C2)CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C39H42F4N2O3/c40-38(20-22-45(23-21-38)34-19-11-10-18-33(34)39(41,42)43)29-44-24-35(46-26-30-12-4-1-5-13-30)37(48-28-32-16-8-3-9-17-32)36(25-44)47-27-31-14-6-2-7-15-31/h1-19,35-37H,20-29H2/t35-,36+,37?
InChIKeyCHMOTMIRCDHBLR-VUIRNMKQSA-N
XLogP8.09
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.77
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine 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,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine?
The IUPAC name of (3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine (CID 175865966) is (3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine.
What is the SMILES notation for (3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine?
The canonical SMILES for (3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine is FC1(CN2C[C@H](OCc3ccccc3)C(OCc3ccccc3)[C@H](OCc3ccccc3)C2)CCN(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine?
The InChIKey is CHMOTMIRCDHBLR-VUIRNMKQSA-N. The full InChI is InChI=1S/C39H42F4N2O3/c40-38(20-22-45(23-21-38)34-19-11-10-18-33(34)39(41,42)43)29-44-24-35(46-26-30-12-4-1-5-13-30)37(48-28-32-16-8-3-9-17-32)36(25-44)47-27-31-14-6-2-7-15-31/h1-19,35-37H,20-29H2/t35-,36+,37?.
What are the key properties of (3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine?
(3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine has a molecular weight of 662.77 g/mol, XLogP of 8.09, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine is sourced from PubChem (CID 175865966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).