1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone

C14H16F3NO — CID 897795

IUPAC1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C14H16F3NO/c15-14(16,17)13(19)18-8-6-12(7-9-18)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyFLCQYFFPGVUUFI-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.03
Rot. Bonds2

About 1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone

1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 897795) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID897795
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C14H16F3NO/c15-14(16,17)13(19)18-8-6-12(7-9-18)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyFLCQYFFPGVUUFI-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone (CID 897795) is 1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone is O=C(N1CCC(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is FLCQYFFPGVUUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)13(19)18-8-6-12(7-9-18)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 271.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 897795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).