2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine

C19H20F3N3 — CID 18763648

IUPAC2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine
SMILESCc1nc(/C=C/c2cccc(C(F)(F)F)c2)cc(N2CCCCC2)n1
InChIInChI=1S/C19H20F3N3/c1-14-23-17(13-18(24-14)25-10-3-2-4-11-25)9-8-15-6-5-7-16(12-15)19(20,21)22/h5-9,12-13H,2-4,10-11H2,1H3/b9-8+
InChIKeyDFZAHLXEMZIVEF-CMDGGOBGSA-N
MW347.38 g/mol
LogP4.96
Rot. Bonds3

About 2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine

2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine (PubChem CID 18763648) has the molecular formula C19H20F3N3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine
PubChem CID18763648
Molecular FormulaC19H20F3N3
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine
SMILESCc1nc(/C=C/c2cccc(C(F)(F)F)c2)cc(N2CCCCC2)n1
InChIInChI=1S/C19H20F3N3/c1-14-23-17(13-18(24-14)25-10-3-2-4-11-25)9-8-15-6-5-7-16(12-15)19(20,21)22/h5-9,12-13H,2-4,10-11H2,1H3/b9-8+
InChIKeyDFZAHLXEMZIVEF-CMDGGOBGSA-N
XLogP4.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine?
The IUPAC name of 2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine (CID 18763648) is 2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine is Cc1nc(/C=C/c2cccc(C(F)(F)F)c2)cc(N2CCCCC2)n1.
What is the InChIKey of 2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine?
The InChIKey is DFZAHLXEMZIVEF-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H20F3N3/c1-14-23-17(13-18(24-14)25-10-3-2-4-11-25)9-8-15-6-5-7-16(12-15)19(20,21)22/h5-9,12-13H,2-4,10-11H2,1H3/b9-8+.
What are the key properties of 2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine?
2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine has a molecular weight of 347.38 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidine is sourced from PubChem (CID 18763648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).