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

C13H15F3N2O — CID 5216003

IUPAC1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12(19)18-8-6-17(7-9-18)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyVZIHGMYACKUQQJ-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.89
Rot. Bonds2

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

1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 5216003) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone
PubChem CID5216003
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12(19)18-8-6-17(7-9-18)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyVZIHGMYACKUQQJ-UHFFFAOYSA-N
XLogP1.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone (CID 5216003) is 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone is O=C(N1CCN(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is VZIHGMYACKUQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)12(19)18-8-6-17(7-9-18)10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone?
1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 272.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 5216003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).