1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C21H24F4N2O2S — CID 56586816

IUPAC1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCN(Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H24F4N2O2S/c1-26(14-16-4-2-6-18(12-16)21(23,24)25)20-8-10-27(11-9-20)30(28,29)15-17-5-3-7-19(22)13-17/h2-7,12-13,20H,8-11,14-15H2,1H3
InChIKeySYKXYCOEXBCCIY-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.27
Rot. Bonds6

About 1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 56586816) has the molecular formula C21H24F4N2O2S and a molecular weight of 444.49 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID56586816
Molecular FormulaC21H24F4N2O2S
Molecular Weight444.49 g/mol
Exact Mass444.15
IUPAC Name1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCN(Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H24F4N2O2S/c1-26(14-16-4-2-6-18(12-16)21(23,24)25)20-8-10-27(11-9-20)30(28,29)15-17-5-3-7-19(22)13-17/h2-7,12-13,20H,8-11,14-15H2,1H3
InChIKeySYKXYCOEXBCCIY-UHFFFAOYSA-N
XLogP4.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542560
1-[(3-fluorophenyl)methylsulfonyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 56587215
4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine
CID 121187196
[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine
CID 119971950
(3aR,6aS)-5-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665429
3-(benzenesulfonyl)-1-[(3-fluorophenyl)methylsulfonyl]pyrrolidine
CID 71805609
3-amino-1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]butan-1-one
CID 120872790
4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629231
1-[(3-fluorophenyl)methylsulfonyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 56512734
1-[(3-fluorophenyl)methylsulfonyl]-3-methylpiperazine
CID 119981962
2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
CID 121178833
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 71844487

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 56586816) is 1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is CN(Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is SYKXYCOEXBCCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F4N2O2S/c1-26(14-16-4-2-6-18(12-16)21(23,24)25)20-8-10-27(11-9-20)30(28,29)15-17-5-3-7-19(22)13-17/h2-7,12-13,20H,8-11,14-15H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 444.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 56586816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).