(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine

C20H26F6N2 — CID 97313441

IUPAC(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
SMILESFC(F)(F)[C@H]1CCCN(Cc2ccccc2CN2CCC[C@H](C(F)(F)F)C2)C1
InChIInChI=1S/C20H26F6N2/c21-19(22,23)17-7-3-9-27(13-17)11-15-5-1-2-6-16(15)12-28-10-4-8-18(14-28)20(24,25)26/h1-2,5-6,17-18H,3-4,7-14H2/t17-,18-/m0/s1
InChIKeyCFRFOCRTJYWZJH-ROUUACIJSA-N
MW408.43 g/mol
LogP5.24
Rot. Bonds4

About (3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine

(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine (PubChem CID 97313441) has the molecular formula C20H26F6N2 and a molecular weight of 408.43 g/mol. Its IUPAC name is (3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
PubChem CID97313441
Molecular FormulaC20H26F6N2
Molecular Weight408.43 g/mol
Exact Mass408.20
IUPAC Name(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
SMILESFC(F)(F)[C@H]1CCCN(Cc2ccccc2CN2CCC[C@H](C(F)(F)F)C2)C1
InChIInChI=1S/C20H26F6N2/c21-19(22,23)17-7-3-9-27(13-17)11-15-5-1-2-6-16(15)12-28-10-4-8-18(14-28)20(24,25)26/h1-2,5-6,17-18H,3-4,7-14H2/t17-,18-/m0/s1
InChIKeyCFRFOCRTJYWZJH-ROUUACIJSA-N
XLogP5.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine 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

2-fluoro-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]aniline
CID 107347469
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
1-[(2-fluoro-3-nitrophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 107348349
(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 51970058
2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82966226
1-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 170453833
1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 165413623
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 60670302
[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557056
1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 63771038
(1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol
CID 2077827
ethyl 2-iodo-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]benzoate
CID 169449794

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine?
The IUPAC name of (3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine (CID 97313441) is (3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine.
What is the SMILES notation for (3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine?
The canonical SMILES for (3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine is FC(F)(F)[C@H]1CCCN(Cc2ccccc2CN2CCC[C@H](C(F)(F)F)C2)C1.
What is the InChIKey of (3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine?
The InChIKey is CFRFOCRTJYWZJH-ROUUACIJSA-N. The full InChI is InChI=1S/C20H26F6N2/c21-19(22,23)17-7-3-9-27(13-17)11-15-5-1-2-6-16(15)12-28-10-4-8-18(14-28)20(24,25)26/h1-2,5-6,17-18H,3-4,7-14H2/t17-,18-/m0/s1.
What are the key properties of (3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine?
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine has a molecular weight of 408.43 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine is sourced from PubChem (CID 97313441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).