1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone

C14H16F4N2O — CID 154365639

IUPAC1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESNC1CCN(C(=O)C(F)(F)F)C(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H16F4N2O/c15-10-3-1-9(2-4-10)7-12-8-11(19)5-6-20(12)13(21)14(16,17)18/h1-4,11-12H,5-8,19H2
InChIKeyGOJSTPQLFYRISD-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.25
Rot. Bonds2

About 1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 154365639) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID154365639
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESNC1CCN(C(=O)C(F)(F)F)C(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H16F4N2O/c15-10-3-1-9(2-4-10)7-12-8-11(19)5-6-20(12)13(21)14(16,17)18/h1-4,11-12H,5-8,19H2
InChIKeyGOJSTPQLFYRISD-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone (CID 154365639) is 1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone is NC1CCN(C(=O)C(F)(F)F)C(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is GOJSTPQLFYRISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-10-3-1-9(2-4-10)7-12-8-11(19)5-6-20(12)13(21)14(16,17)18/h1-4,11-12H,5-8,19H2.
What are the key properties of 1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 304.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 154365639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).