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

C21H22F5NO — CID 134141837

IUPAC4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESFC(F)(F)Oc1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1
InChIInChI=1S/C21H22F5NO/c22-20(23)12-13-27(15-18(20)9-6-16-4-2-1-3-5-16)14-17-7-10-19(11-8-17)28-21(24,25)26/h1-5,7-8,10-11,18H,6,9,12-15H2
InChIKeyWEQSXQHKOAXEPI-UHFFFAOYSA-N
MW399.40 g/mol
LogP5.68
Rot. Bonds6

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

4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine (PubChem CID 134141837) has the molecular formula C21H22F5NO and a molecular weight of 399.40 g/mol. Its IUPAC name is 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
PubChem CID134141837
Molecular FormulaC21H22F5NO
Molecular Weight399.40 g/mol
Exact Mass399.16
IUPAC Name4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESFC(F)(F)Oc1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1
InChIInChI=1S/C21H22F5NO/c22-20(23)12-13-27(15-18(20)9-6-16-4-2-1-3-5-16)14-17-7-10-19(11-8-17)28-21(24,25)26/h1-5,7-8,10-11,18H,6,9,12-15H2
InChIKeyWEQSXQHKOAXEPI-UHFFFAOYSA-N
XLogP5.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.40
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]benzonitrile
CID 134142152
3-(bromomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 80691866
1-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 134154730
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
3,7-dichloro-2-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline
CID 134135129
1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
CID 11497364
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078
3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 107320803
8-benzyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 53233981
3-benzyl-8-[[4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11993277
1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
CID 55169790
3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 155353464

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The IUPAC name of 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine (CID 134141837) is 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The canonical SMILES for 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine is FC(F)(F)Oc1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1.
What is the InChIKey of 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The InChIKey is WEQSXQHKOAXEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F5NO/c22-20(23)12-13-27(15-18(20)9-6-16-4-2-1-3-5-16)14-17-7-10-19(11-8-17)28-21(24,25)26/h1-5,7-8,10-11,18H,6,9,12-15H2.
What are the key properties of 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine has a molecular weight of 399.40 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 134141837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).