1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C21H25F3N2 — CID 26458299

IUPAC1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESFC(F)(F)c1cccc(CNC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C21H25F3N2/c22-21(23,24)19-8-4-7-18(15-19)16-25-20-10-13-26(14-11-20)12-9-17-5-2-1-3-6-17/h1-8,15,20,25H,9-14,16H2
InChIKeyDFOQWCGMBXUJKJ-UHFFFAOYSA-N
MW362.44 g/mol
LogP4.50
Rot. Bonds6

About 1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 26458299) has the molecular formula C21H25F3N2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID26458299
Molecular FormulaC21H25F3N2
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESFC(F)(F)c1cccc(CNC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C21H25F3N2/c22-21(23,24)19-8-4-7-18(15-19)16-25-20-10-13-26(14-11-20)12-9-17-5-2-1-3-6-17/h1-8,15,20,25H,9-14,16H2
InChIKeyDFOQWCGMBXUJKJ-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 26458299) is 1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is FC(F)(F)c1cccc(CNC2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of 1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is DFOQWCGMBXUJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2/c22-21(23,24)19-8-4-7-18(15-19)16-25-20-10-13-26(14-11-20)12-9-17-5-2-1-3-6-17/h1-8,15,20,25H,9-14,16H2.
What are the key properties of 1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 362.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 26458299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).