4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

C21H22F5N — CID 134146200

IUPAC4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1
InChIInChI=1S/C21H22F5N/c22-20(23)12-13-27(14-17-7-9-18(10-8-17)21(24,25)26)15-19(20)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,6,11-15H2
InChIKeyHHDKFNWZDZPACI-UHFFFAOYSA-N
MW383.40 g/mol
LogP5.80
Rot. Bonds5

About 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 134146200) has the molecular formula C21H22F5N and a molecular weight of 383.40 g/mol. Its IUPAC name is 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID134146200
Molecular FormulaC21H22F5N
Molecular Weight383.40 g/mol
Exact Mass383.17
IUPAC Name4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1
InChIInChI=1S/C21H22F5N/c22-20(23)12-13-27(14-17-7-9-18(10-8-17)21(24,25)26)15-19(20)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,6,11-15H2
InChIKeyHHDKFNWZDZPACI-UHFFFAOYSA-N
XLogP5.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Phencyclidine
CID 6468
Flunarizine
CID 941361
Phencyclidine Hydrochloride
CID 9795678
Fenpiprane
CID 197785
1,4-Dibenzylpiperazine
CID 200601
Paliroden
CID 11567682
Piperidine, 1-(3,3-diphenylallyl)-
CID 202718
4-Phenyl-1-(4-phenylbutyl)piperidine
CID 3035672
Piperidine, 1-(4-methyl-1-phenylcyclohexyl)-, TR
CID 210766
Diphenidine
CID 206666
4-Phenyl-1-(5-phenyl-pentyl)-piperidine
CID 126229
1-Benzyl-4-(3-phenylpropyl)piperazine
CID 2845719

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 134146200) is 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1.
What is the InChIKey of 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is HHDKFNWZDZPACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F5N/c22-20(23)12-13-27(14-17-7-9-18(10-8-17)21(24,25)26)15-19(20)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,6,11-15H2.
What are the key properties of 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 383.40 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 134146200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).