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

C20H26F6N2 — CID 71901278

IUPAC3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
SMILESFC(F)(F)C1CCCN(Cc2cccc(CN3CCCC(C(F)(F)F)C3)c2)C1
InChIInChI=1S/C20H26F6N2/c21-19(22,23)17-6-2-8-27(13-17)11-15-4-1-5-16(10-15)12-28-9-3-7-18(14-28)20(24,25)26/h1,4-5,10,17-18H,2-3,6-9,11-14H2
InChIKeyUHKBAYYJWFEDTL-UHFFFAOYSA-N
MW408.43 g/mol
LogP5.24
Rot. Bonds4

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

3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine (PubChem CID 71901278) has the molecular formula C20H26F6N2 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
PubChem CID71901278
Molecular FormulaC20H26F6N2
Molecular Weight408.43 g/mol
Exact Mass408.20
IUPAC Name3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
SMILESFC(F)(F)C1CCCN(Cc2cccc(CN3CCCC(C(F)(F)F)C3)c2)C1
InChIInChI=1S/C20H26F6N2/c21-19(22,23)17-6-2-8-27(13-17)11-15-4-1-5-16(10-15)12-28-9-3-7-18(14-28)20(24,25)26/h1,4-5,10,17-18H,2-3,6-9,11-14H2
InChIKeyUHKBAYYJWFEDTL-UHFFFAOYSA-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

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Related Compounds

(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 51970058
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 165413623
2-fluoro-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]aniline
CID 107347469
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982590
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 79233400
1-[(2-bromo-6-phenylmethoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 171934410
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 63771038

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine?
The IUPAC name of 3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine (CID 71901278) is 3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine.
What is the SMILES notation for 3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine?
The canonical SMILES for 3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine is FC(F)(F)C1CCCN(Cc2cccc(CN3CCCC(C(F)(F)F)C3)c2)C1.
What is the InChIKey of 3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine?
The InChIKey is UHKBAYYJWFEDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F6N2/c21-19(22,23)17-6-2-8-27(13-17)11-15-4-1-5-16(10-15)12-28-9-3-7-18(14-28)20(24,25)26/h1,4-5,10,17-18H,2-3,6-9,11-14H2.
What are the key properties of 3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine?
3-(trifluoromethyl)-1-[[3-[[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 3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine is sourced from PubChem (CID 71901278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).