2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid

C15H19F3N2O3 — CID 68500946

IUPAC2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid
SMILESCC1CCN(c2ccccc2C(N)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N2O.C2HF3O2/c1-10-6-8-15(9-7-10)12-5-3-2-4-11(12)13(14)16;3-2(4,5)1(6)7/h2-5,10H,6-9H2,1H3,(H2,14,16);(H,6,7)
InChIKeyLTOSEBHDHIAQRK-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.66
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid

2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid (PubChem CID 68500946) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid
PubChem CID68500946
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid
SMILESCC1CCN(c2ccccc2C(N)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N2O.C2HF3O2/c1-10-6-8-15(9-7-10)12-5-3-2-4-11(12)13(14)16;3-2(4,5)1(6)7/h2-5,10H,6-9H2,1H3,(H2,14,16);(H,6,7)
InChIKeyLTOSEBHDHIAQRK-UHFFFAOYSA-N
XLogP2.66
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid (CID 68500946) is 2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid is CC1CCN(c2ccccc2C(N)=O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is LTOSEBHDHIAQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C2HF3O2/c1-10-6-8-15(9-7-10)12-5-3-2-4-11(12)13(14)16;3-2(4,5)1(6)7/h2-5,10H,6-9H2,1H3,(H2,14,16);(H,6,7).
What are the key properties of 2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid?
2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 332.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68500946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).