3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

C22H23F6N — CID 167080885

IUPAC3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CCC2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1
InChIInChI=1S/C22H23F6N/c23-21(24,25)19-9-5-16(6-10-19)3-4-17-2-1-13-29(14-17)15-18-7-11-20(12-8-18)22(26,27)28/h5-12,17H,1-4,13-15H2
InChIKeyZRZCFJWZPNUQDD-UHFFFAOYSA-N
MW415.42 g/mol
LogP6.57
Rot. Bonds5

About 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 167080885) has the molecular formula C22H23F6N and a molecular weight of 415.42 g/mol. Its IUPAC name is 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID167080885
Molecular FormulaC22H23F6N
Molecular Weight415.42 g/mol
Exact Mass415.17
IUPAC Name3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CCC2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1
InChIInChI=1S/C22H23F6N/c23-21(24,25)19-9-5-16(6-10-19)3-4-17-2-1-13-29(14-17)15-18-7-11-20(12-8-18)22(26,27)28/h5-12,17H,1-4,13-15H2
InChIKeyZRZCFJWZPNUQDD-UHFFFAOYSA-N
XLogP6.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 58737422
N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 42358991
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-[(3S)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 58737453
2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
CID 62355946
3-[[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 56869553
4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 95545419
3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080813
2-propan-2-yl-5-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine
CID 95476526
2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 95558447
2-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 95723970
3-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42456464

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 167080885) is 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1ccc(CCC2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1.
What is the InChIKey of 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is ZRZCFJWZPNUQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F6N/c23-21(24,25)19-9-5-16(6-10-19)3-4-17-2-1-13-29(14-17)15-18-7-11-20(12-8-18)22(26,27)28/h5-12,17H,1-4,13-15H2.
What are the key properties of 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 415.42 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 167080885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).