2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine

C20H24F3N3O — CID 56865707

IUPAC2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCCC(CCc3ccccc3C(F)(F)F)C2)cn1
InChIInChI=1S/C20H24F3N3O/c1-27-19-24-11-16(12-25-19)14-26-10-4-5-15(13-26)8-9-17-6-2-3-7-18(17)20(21,22)23/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3
InChIKeyVNPAQWVTUKWVOT-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.35
Rot. Bonds6

About 2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine

2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine (PubChem CID 56865707) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine
PubChem CID56865707
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCCC(CCc3ccccc3C(F)(F)F)C2)cn1
InChIInChI=1S/C20H24F3N3O/c1-27-19-24-11-16(12-25-19)14-26-10-4-5-15(13-26)8-9-17-6-2-3-7-18(17)20(21,22)23/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3
InChIKeyVNPAQWVTUKWVOT-UHFFFAOYSA-N
XLogP4.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine (CID 56865707) is 2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine is COc1ncc(CN2CCCC(CCc3ccccc3C(F)(F)F)C2)cn1.
What is the InChIKey of 2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine?
The InChIKey is VNPAQWVTUKWVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-27-19-24-11-16(12-25-19)14-26-10-4-5-15(13-26)8-9-17-6-2-3-7-18(17)20(21,22)23/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3.
What are the key properties of 2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine?
2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine has a molecular weight of 379.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 56865707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).