2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine

C19H19ClF4N2O — CID 24801101

IUPAC2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESFc1ccc(C2(COCc3cc(C(F)(F)F)cc(Cl)n3)CCNCC2)cc1
InChIInChI=1S/C19H19ClF4N2O/c20-17-10-14(19(22,23)24)9-16(26-17)11-27-12-18(5-7-25-8-6-18)13-1-3-15(21)4-2-13/h1-4,9-10,25H,5-8,11-12H2
InChIKeyAPJYAVYSAZEVQB-UHFFFAOYSA-N
MW402.82 g/mol
LogP4.73
Rot. Bonds5

About 2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine

2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 24801101) has the molecular formula C19H19ClF4N2O and a molecular weight of 402.82 g/mol. Its IUPAC name is 2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID24801101
Molecular FormulaC19H19ClF4N2O
Molecular Weight402.82 g/mol
Exact Mass402.11
IUPAC Name2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESFc1ccc(C2(COCc3cc(C(F)(F)F)cc(Cl)n3)CCNCC2)cc1
InChIInChI=1S/C19H19ClF4N2O/c20-17-10-14(19(22,23)24)9-16(26-17)11-27-12-18(5-7-25-8-6-18)13-1-3-15(21)4-2-13/h1-4,9-10,25H,5-8,11-12H2
InChIKeyAPJYAVYSAZEVQB-UHFFFAOYSA-N
XLogP4.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.82
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (CID 24801101) is 2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is Fc1ccc(C2(COCc3cc(C(F)(F)F)cc(Cl)n3)CCNCC2)cc1.
What is the InChIKey of 2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is APJYAVYSAZEVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF4N2O/c20-17-10-14(19(22,23)24)9-16(26-17)11-27-12-18(5-7-25-8-6-18)13-1-3-15(21)4-2-13/h1-4,9-10,25H,5-8,11-12H2.
What are the key properties of 2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 402.82 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24801101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).