4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine

C15H20F3NO — CID 118331263

IUPAC4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESCCC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H20F3NO/c1-2-12-7-9-19(10-8-12)11-13-3-5-14(6-4-13)20-15(16,17)18/h3-6,12H,2,7-11H2,1H3
InChIKeyYLQFZAMDVSYDEH-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.21
Rot. Bonds4

About 4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine

4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine (PubChem CID 118331263) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
PubChem CID118331263
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESCCC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H20F3NO/c1-2-12-7-9-19(10-8-12)11-13-3-5-14(6-4-13)20-15(16,17)18/h3-6,12H,2,7-11H2,1H3
InChIKeyYLQFZAMDVSYDEH-UHFFFAOYSA-N
XLogP4.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
3-(bromomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 80691866
2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
CID 177337432
4-chloro-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 114682246
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 23373749
phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 55625829
2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine
CID 175576430
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
1-[[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methyl]-4-propan-2-ylpiperidine
CID 89411330
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The IUPAC name of 4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine (CID 118331263) is 4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The canonical SMILES for 4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine is CCC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The InChIKey is YLQFZAMDVSYDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-2-12-7-9-19(10-8-12)11-13-3-5-14(6-4-13)20-15(16,17)18/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine has a molecular weight of 287.32 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 118331263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).