6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine

C21H25F4N3O — CID 24800743

IUPAC6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCNCC2)n1
InChIInChI=1S/C21H25F4N3O/c1-28(2)19-12-16(21(23,24)25)11-18(27-19)13-29-14-20(7-9-26-10-8-20)15-3-5-17(22)6-4-15/h3-6,11-12,26H,7-10,13-14H2,1-2H3
InChIKeyGYCNKTJLOQCTEA-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.14
Rot. Bonds6

About 6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine

6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 24800743) has the molecular formula C21H25F4N3O and a molecular weight of 411.44 g/mol. Its IUPAC name is 6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID24800743
Molecular FormulaC21H25F4N3O
Molecular Weight411.44 g/mol
Exact Mass411.19
IUPAC Name6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCNCC2)n1
InChIInChI=1S/C21H25F4N3O/c1-28(2)19-12-16(21(23,24)25)11-18(27-19)13-29-14-20(7-9-26-10-8-20)15-3-5-17(22)6-4-15/h3-6,11-12,26H,7-10,13-14H2,1-2H3
InChIKeyGYCNKTJLOQCTEA-UHFFFAOYSA-N
XLogP4.14
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine (CID 24800743) is 6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine is CN(C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCNCC2)n1.
What is the InChIKey of 6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GYCNKTJLOQCTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F4N3O/c1-28(2)19-12-16(21(23,24)25)11-18(27-19)13-29-14-20(7-9-26-10-8-20)15-3-5-17(22)6-4-15/h3-6,11-12,26H,7-10,13-14H2,1-2H3.
What are the key properties of 6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine?
6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 411.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 24800743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).