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

C38H42F3N3O3 — CID 175865963

IUPAC2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine
SMILESFC(F)(F)c1ncccc1N1CCC[C@H](CN2C[C@H](OCc3ccccc3)C(OCc3ccccc3)[C@H](OCc3ccccc3)C2)C1
InChIInChI=1S/C38H42F3N3O3/c39-38(40,41)37-33(19-10-20-42-37)44-21-11-18-32(23-44)22-43-24-34(45-26-29-12-4-1-5-13-29)36(47-28-31-16-8-3-9-17-31)35(25-43)46-27-30-14-6-2-7-15-30/h1-10,12-17,19-20,32,34-36H,11,18,21-28H2/t32-,34-,35+,36?/m1/s1
InChIKeyMQMZYEFKZYKYHL-JRSVENMJSA-N
MW645.77 g/mol
LogP7.39
Rot. Bonds12

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

2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine (PubChem CID 175865963) has the molecular formula C38H42F3N3O3 and a molecular weight of 645.77 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine
PubChem CID175865963
Molecular FormulaC38H42F3N3O3
Molecular Weight645.77 g/mol
Exact Mass645.32
IUPAC Name2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine
SMILESFC(F)(F)c1ncccc1N1CCC[C@H](CN2C[C@H](OCc3ccccc3)C(OCc3ccccc3)[C@H](OCc3ccccc3)C2)C1
InChIInChI=1S/C38H42F3N3O3/c39-38(40,41)37-33(19-10-20-42-37)44-21-11-18-32(23-44)22-43-24-34(45-26-29-12-4-1-5-13-29)36(47-28-31-16-8-3-9-17-31)35(25-43)46-27-30-14-6-2-7-15-30/h1-10,12-17,19-20,32,34-36H,11,18,21-28H2/t32-,34-,35+,36?/m1/s1
InChIKeyMQMZYEFKZYKYHL-JRSVENMJSA-N
XLogP7.39
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.77
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine 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

4-(trifluoromethyl)-5-[(3S)-3-[[(3S,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]pyrrolidin-1-yl]pyrimidine
CID 157039255
4-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]pyrrolidin-1-yl]pyridine
CID 175865982
1-[[(3R)-1-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039268
1-[[(3S)-1-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039204
3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 157039183
(3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]-3,4,5-tris(phenylmethoxy)piperidine
CID 175865933
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]piperidine
CID 155721008
(3R,5S)-1-[[4-fluoro-1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-3,4,5-tris(phenylmethoxy)piperidine
CID 175865966
ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine
CID 176552649
1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 153398901
2-(3-phenylmethoxypiperidin-1-yl)aniline
CID 172691855
1-[[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039208

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine?
The IUPAC name of 2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine (CID 175865963) is 2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine is FC(F)(F)c1ncccc1N1CCC[C@H](CN2C[C@H](OCc3ccccc3)C(OCc3ccccc3)[C@H](OCc3ccccc3)C2)C1.
What is the InChIKey of 2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine?
The InChIKey is MQMZYEFKZYKYHL-JRSVENMJSA-N. The full InChI is InChI=1S/C38H42F3N3O3/c39-38(40,41)37-33(19-10-20-42-37)44-21-11-18-32(23-44)22-43-24-34(45-26-29-12-4-1-5-13-29)36(47-28-31-16-8-3-9-17-31)35(25-43)46-27-30-14-6-2-7-15-30/h1-10,12-17,19-20,32,34-36H,11,18,21-28H2/t32-,34-,35+,36?/m1/s1.
What are the key properties of 2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine?
2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine has a molecular weight of 645.77 g/mol, XLogP of 7.39, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine is sourced from PubChem (CID 175865963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).