N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide

C13H17F3N2O2S — CID 11727019

IUPACN-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)21(19,20)17-12-6-8-18(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2
InChIKeyOEVSDJSENWMGQH-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.09
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide

N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 11727019) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID11727019
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)21(19,20)17-12-6-8-18(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2
InChIKeyOEVSDJSENWMGQH-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide (CID 11727019) is N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC1CCN(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is OEVSDJSENWMGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c14-13(15,16)21(19,20)17-12-6-8-18(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide?
N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 11727019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).