3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide

C14H18F3N3O2 — CID 141147106

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(N2CCN(CCO)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)11-7-10(13(18)22)8-12(9-11)20-3-1-19(2-4-20)5-6-21/h7-9,21H,1-6H2,(H2,18,22)
InChIKeyVXARWSFWNMVEKB-UHFFFAOYSA-N
MW317.31 g/mol
LogP0.92
Rot. Bonds4

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide

3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide (PubChem CID 141147106) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide
PubChem CID141147106
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(N2CCN(CCO)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)11-7-10(13(18)22)8-12(9-11)20-3-1-19(2-4-20)5-6-21/h7-9,21H,1-6H2,(H2,18,22)
InChIKeyVXARWSFWNMVEKB-UHFFFAOYSA-N
XLogP0.92
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide (CID 141147106) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide is NC(=O)c1cc(N2CCN(CCO)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is VXARWSFWNMVEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c15-14(16,17)11-7-10(13(18)22)8-12(9-11)20-3-1-19(2-4-20)5-6-21/h7-9,21H,1-6H2,(H2,18,22).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 317.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 141147106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).