1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine

C16H19F6N — CID 91336363

IUPAC1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine
SMILESCCC1CCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H19F6N/c1-2-14-5-3-4-6-23(14)10-11-7-12(15(17,18)19)9-13(8-11)16(20,21)22/h7-9,14H,2-6,10H2,1H3
InChIKeyFKCNIFYFIRGHPJ-UHFFFAOYSA-N
MW339.32 g/mol
LogP5.49
Rot. Bonds3

About 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine (PubChem CID 91336363) has the molecular formula C16H19F6N and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine.

Molecular Properties

Compound Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine
PubChem CID91336363
Molecular FormulaC16H19F6N
Molecular Weight339.32 g/mol
Exact Mass339.14
IUPAC Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine
SMILESCCC1CCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H19F6N/c1-2-14-5-3-4-6-23(14)10-11-7-12(15(17,18)19)9-13(8-11)16(20,21)22/h7-9,14H,2-6,10H2,1H3
InChIKeyFKCNIFYFIRGHPJ-UHFFFAOYSA-N
XLogP5.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline
CID 63188722
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 87929151
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
4-[(2-ethylazepan-1-yl)methyl]-2-fluoroaniline
CID 113441589
2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide
CID 52813145
1-[[3-hydroxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 122040384
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970475
2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
CID 43266179
4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
CID 53191773
potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide
CID 63704887

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine?
The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine (CID 91336363) is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine.
What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine?
The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine is CCC1CCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine?
The InChIKey is FKCNIFYFIRGHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F6N/c1-2-14-5-3-4-6-23(14)10-11-7-12(15(17,18)19)9-13(8-11)16(20,21)22/h7-9,14H,2-6,10H2,1H3.
What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine?
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine has a molecular weight of 339.32 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine is sourced from PubChem (CID 91336363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).