2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine

C22H27F3N2O — CID 91415382

IUPAC2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
SMILESCC(C)c1ccc(OC(F)(F)F)c(CNN2CCCCC2c2ccccc2)c1
InChIInChI=1S/C22H27F3N2O/c1-16(2)18-11-12-21(28-22(23,24)25)19(14-18)15-26-27-13-7-6-10-20(27)17-8-4-3-5-9-17/h3-5,8-9,11-12,14,16,20,26H,6-7,10,13,15H2,1-2H3
InChIKeyQSRXMSZAIXIMIU-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.94
Rot. Bonds6

About 2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine

2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine (PubChem CID 91415382) has the molecular formula C22H27F3N2O and a molecular weight of 392.47 g/mol. Its IUPAC name is 2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine.

Molecular Properties

Compound Name2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
PubChem CID91415382
Molecular FormulaC22H27F3N2O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
SMILESCC(C)c1ccc(OC(F)(F)F)c(CNN2CCCCC2c2ccccc2)c1
InChIInChI=1S/C22H27F3N2O/c1-16(2)18-11-12-21(28-22(23,24)25)19(14-18)15-26-27-13-7-6-10-20(27)17-8-4-3-5-9-17/h3-5,8-9,11-12,14,16,20,26H,6-7,10,13,15H2,1-2H3
InChIKeyQSRXMSZAIXIMIU-UHFFFAOYSA-N
XLogP5.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine?
The IUPAC name of 2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine (CID 91415382) is 2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine.
What is the SMILES notation for 2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine?
The canonical SMILES for 2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine is CC(C)c1ccc(OC(F)(F)F)c(CNN2CCCCC2c2ccccc2)c1.
What is the InChIKey of 2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine?
The InChIKey is QSRXMSZAIXIMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O/c1-16(2)18-11-12-21(28-22(23,24)25)19(14-18)15-26-27-13-7-6-10-20(27)17-8-4-3-5-9-17/h3-5,8-9,11-12,14,16,20,26H,6-7,10,13,15H2,1-2H3.
What are the key properties of 2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine?
2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine has a molecular weight of 392.47 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[5-propan-2-yl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine is sourced from PubChem (CID 91415382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).