1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine

C24H25F3N2O — CID 17159461

IUPAC1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
SMILESFC(F)(F)c1cccc(-c2ccc(CNC3CCN(Cc4ccccc4)CC3)o2)c1
InChIInChI=1S/C24H25F3N2O/c25-24(26,27)20-8-4-7-19(15-20)23-10-9-22(30-23)16-28-21-11-13-29(14-12-21)17-18-5-2-1-3-6-18/h1-10,15,21,28H,11-14,16-17H2
InChIKeyVMKZYFBHHUOTBC-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.72
Rot. Bonds6

About 1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine

1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine (PubChem CID 17159461) has the molecular formula C24H25F3N2O and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
PubChem CID17159461
Molecular FormulaC24H25F3N2O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
SMILESFC(F)(F)c1cccc(-c2ccc(CNC3CCN(Cc4ccccc4)CC3)o2)c1
InChIInChI=1S/C24H25F3N2O/c25-24(26,27)20-8-4-7-19(15-20)23-10-9-22(30-23)16-28-21-11-13-29(14-12-21)17-18-5-2-1-3-6-18/h1-10,15,21,28H,11-14,16-17H2
InChIKeyVMKZYFBHHUOTBC-UHFFFAOYSA-N
XLogP5.72
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine (CID 17159461) is 1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine is FC(F)(F)c1cccc(-c2ccc(CNC3CCN(Cc4ccccc4)CC3)o2)c1.
What is the InChIKey of 1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine?
The InChIKey is VMKZYFBHHUOTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O/c25-24(26,27)20-8-4-7-19(15-20)23-10-9-22(30-23)16-28-21-11-13-29(14-12-21)17-18-5-2-1-3-6-18/h1-10,15,21,28H,11-14,16-17H2.
What are the key properties of 1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine?
1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine has a molecular weight of 414.47 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 17159461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).