2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine

C18H23F3N4O — CID 70739933

IUPAC2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine
SMILESCOCCn1ccnc1C1CCN(c2cc(C(F)(F)F)cc(C)n2)CC1
InChIInChI=1S/C18H23F3N4O/c1-13-11-15(18(19,20)21)12-16(23-13)24-6-3-14(4-7-24)17-22-5-8-25(17)9-10-26-2/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyZTSPUJSJHDUICL-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.64
Rot. Bonds5

About 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine

2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine (PubChem CID 70739933) has the molecular formula C18H23F3N4O and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine
PubChem CID70739933
Molecular FormulaC18H23F3N4O
Molecular Weight368.40 g/mol
Exact Mass368.18
IUPAC Name2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine
SMILESCOCCn1ccnc1C1CCN(c2cc(C(F)(F)F)cc(C)n2)CC1
InChIInChI=1S/C18H23F3N4O/c1-13-11-15(18(19,20)21)12-16(23-13)24-6-3-14(4-7-24)17-22-5-8-25(17)9-10-26-2/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyZTSPUJSJHDUICL-UHFFFAOYSA-N
XLogP3.64
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine (CID 70739933) is 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine is COCCn1ccnc1C1CCN(c2cc(C(F)(F)F)cc(C)n2)CC1.
What is the InChIKey of 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine?
The InChIKey is ZTSPUJSJHDUICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O/c1-13-11-15(18(19,20)21)12-16(23-13)24-6-3-14(4-7-24)17-22-5-8-25(17)9-10-26-2/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine?
2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine has a molecular weight of 368.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 70739933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).