N-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid

C21H25F3N2O2 — CID 69287465

IUPACN-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(C(CNC2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C19H24N2.C2HF3O2/c1-3-7-16(8-4-1)19(17-9-5-2-6-10-17)15-21-18-11-13-20-14-12-18;3-2(4,5)1(6)7/h1-10,18-21H,11-15H2;(H,6,7)
InChIKeyWAFTWJPQFRXVEN-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.79
Rot. Bonds5

About N-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid

N-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 69287465) has the molecular formula C21H25F3N2O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID69287465
Molecular FormulaC21H25F3N2O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(C(CNC2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C19H24N2.C2HF3O2/c1-3-7-16(8-4-1)19(17-9-5-2-6-10-17)15-21-18-11-13-20-14-12-18;3-2(4,5)1(6)7/h1-10,18-21H,11-15H2;(H,6,7)
InChIKeyWAFTWJPQFRXVEN-UHFFFAOYSA-N
XLogP3.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid (CID 69287465) is N-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(C(CNC2CCNCC2)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is WAFTWJPQFRXVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2.C2HF3O2/c1-3-7-16(8-4-1)19(17-9-5-2-6-10-17)15-21-18-11-13-20-14-12-18;3-2(4,5)1(6)7/h1-10,18-21H,11-15H2;(H,6,7).
What are the key properties of N-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
N-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 394.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69287465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).