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

C22H27F4N3O — CID 24799365

IUPACN-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C22H27F4N3O/c1-3-27-20-13-17(22(24,25)26)12-19(28-20)14-30-15-21(8-10-29(2)11-9-21)16-4-6-18(23)7-5-16/h4-7,12-13H,3,8-11,14-15H2,1-2H3,(H,27,28)
InChIKeyMQERJZPDBKDRIH-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.85
Rot. Bonds7

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

N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 24799365) has the molecular formula C22H27F4N3O and a molecular weight of 425.47 g/mol. Its IUPAC name is N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID24799365
Molecular FormulaC22H27F4N3O
Molecular Weight425.47 g/mol
Exact Mass425.21
IUPAC NameN-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C22H27F4N3O/c1-3-27-20-13-17(22(24,25)26)12-19(28-20)14-30-15-21(8-10-29(2)11-9-21)16-4-6-18(23)7-5-16/h4-7,12-13H,3,8-11,14-15H2,1-2H3,(H,27,28)
InChIKeyMQERJZPDBKDRIH-UHFFFAOYSA-N
XLogP4.85
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
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]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine (CID 24799365) is N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(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]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MQERJZPDBKDRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F4N3O/c1-3-27-20-13-17(22(24,25)26)12-19(28-20)14-30-15-21(8-10-29(2)11-9-21)16-4-6-18(23)7-5-16/h4-7,12-13H,3,8-11,14-15H2,1-2H3,(H,27,28).
What are the key properties of N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 425.47 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 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]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 24799365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).