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

C23H29F4N3O — CID 24799545

IUPACN-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN(C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C23H29F4N3O/c1-4-30(3)21-14-18(23(25,26)27)13-20(28-21)15-31-16-22(9-11-29(2)12-10-22)17-5-7-19(24)8-6-17/h5-8,13-14H,4,9-12,15-16H2,1-3H3
InChIKeyVBHDCLIXKVHTRP-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.88
Rot. Bonds7

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

N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 24799545) has the molecular formula C23H29F4N3O and a molecular weight of 439.50 g/mol. Its IUPAC name is N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID24799545
Molecular FormulaC23H29F4N3O
Molecular Weight439.50 g/mol
Exact Mass439.22
IUPAC NameN-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN(C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C23H29F4N3O/c1-4-30(3)21-14-18(23(25,26)27)13-20(28-21)15-31-16-22(9-11-29(2)12-10-22)17-5-7-19(24)8-6-17/h5-8,13-14H,4,9-12,15-16H2,1-3H3
InChIKeyVBHDCLIXKVHTRP-UHFFFAOYSA-N
XLogP4.88
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 24799545) is N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CCN(C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1.
What is the InChIKey of N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VBHDCLIXKVHTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F4N3O/c1-4-30(3)21-14-18(23(25,26)27)13-20(28-21)15-31-16-22(9-11-29(2)12-10-22)17-5-7-19(24)8-6-17/h5-8,13-14H,4,9-12,15-16H2,1-3H3.
What are the key properties of N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 439.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 24799545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).