2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone

C16H20F3NO2 — CID 46704719

IUPAC2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H20F3NO2/c1-22-11-15(21)20-8-6-13(7-9-20)10-12-2-4-14(5-3-12)16(17,18)19/h2-5,13H,6-11H2,1H3
InChIKeyXULMKPKKFVVZQF-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.13
Rot. Bonds4

About 2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone

2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone (PubChem CID 46704719) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone
PubChem CID46704719
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H20F3NO2/c1-22-11-15(21)20-8-6-13(7-9-20)10-12-2-4-14(5-3-12)16(17,18)19/h2-5,13H,6-11H2,1H3
InChIKeyXULMKPKKFVVZQF-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone (CID 46704719) is 2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone is COCC(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is XULMKPKKFVVZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-22-11-15(21)20-8-6-13(7-9-20)10-12-2-4-14(5-3-12)16(17,18)19/h2-5,13H,6-11H2,1H3.
What are the key properties of 2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 315.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 46704719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).