N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C22H27F3N2 — CID 118119441

IUPACN-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H27F3N2/c23-22(24,25)18-26-14-12-21(13-15-26)27(17-20-9-5-2-6-10-20)16-11-19-7-3-1-4-8-19/h1-10,21H,11-18H2
InChIKeyCFNQILBYXZMJKB-UHFFFAOYSA-N
MW376.47 g/mol
LogP4.76
Rot. Bonds7

About N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 118119441) has the molecular formula C22H27F3N2 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID118119441
Molecular FormulaC22H27F3N2
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC NameN-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H27F3N2/c23-22(24,25)18-26-14-12-21(13-15-26)27(17-20-9-5-2-6-10-20)16-11-19-7-3-1-4-8-19/h1-10,21H,11-18H2
InChIKeyCFNQILBYXZMJKB-UHFFFAOYSA-N
XLogP4.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 118119441) is N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is CFNQILBYXZMJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2/c23-22(24,25)18-26-14-12-21(13-15-26)27(17-20-9-5-2-6-10-20)16-11-19-7-3-1-4-8-19/h1-10,21H,11-18H2.
What are the key properties of N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 376.47 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 118119441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).