6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine

C25H33F4N3O — CID 24799364

IUPAC6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCC(CC)Nc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C25H33F4N3O/c1-4-21(5-2)30-23-15-19(25(27,28)29)14-22(31-23)16-33-17-24(10-12-32(3)13-11-24)18-6-8-20(26)9-7-18/h6-9,14-15,21H,4-5,10-13,16-17H2,1-3H3,(H,30,31)
InChIKeyCNYOMHXOSOLHBL-UHFFFAOYSA-N
MW467.55 g/mol
LogP6.02
Rot. Bonds9

About 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine

6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 24799364) has the molecular formula C25H33F4N3O and a molecular weight of 467.55 g/mol. Its IUPAC name is 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID24799364
Molecular FormulaC25H33F4N3O
Molecular Weight467.55 g/mol
Exact Mass467.26
IUPAC Name6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCC(CC)Nc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C25H33F4N3O/c1-4-21(5-2)30-23-15-19(25(27,28)29)14-22(31-23)16-33-17-24(10-12-32(3)13-11-24)18-6-8-20(26)9-7-18/h6-9,14-15,21H,4-5,10-13,16-17H2,1-3H3,(H,30,31)
InChIKeyCNYOMHXOSOLHBL-UHFFFAOYSA-N
XLogP6.02
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 56.02
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)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine (CID 24799364) is 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine is CCC(CC)Nc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1.
What is the InChIKey of 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CNYOMHXOSOLHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F4N3O/c1-4-21(5-2)30-23-15-19(25(27,28)29)14-22(31-23)16-33-17-24(10-12-32(3)13-11-24)18-6-8-20(26)9-7-18/h6-9,14-15,21H,4-5,10-13,16-17H2,1-3H3,(H,30,31).
What are the key properties of 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine?
6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 467.55 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 24799364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).