1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine

C14H18F3NO — CID 146589184

IUPAC1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine
SMILESCC(Oc1c(F)cc(F)cc1F)C1CCN(C)CC1
InChIInChI=1S/C14H18F3NO/c1-9(10-3-5-18(2)6-4-10)19-14-12(16)7-11(15)8-13(14)17/h7-10H,3-6H2,1-2H3
InChIKeyHIQWBNYKWZMOEY-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.21
Rot. Bonds3

About 1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine

1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine (PubChem CID 146589184) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine
PubChem CID146589184
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine
SMILESCC(Oc1c(F)cc(F)cc1F)C1CCN(C)CC1
InChIInChI=1S/C14H18F3NO/c1-9(10-3-5-18(2)6-4-10)19-14-12(16)7-11(15)8-13(14)17/h7-10H,3-6H2,1-2H3
InChIKeyHIQWBNYKWZMOEY-UHFFFAOYSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 79054955
2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene
CID 164786407
3-bromo-4-fluoro-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 115929850
3,5-dichloro-4-fluoro-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 107572964
5-amino-2-[1-(1-methylpiperidin-4-yl)ethoxy]benzoic acid
CID 117096068
4-[1-(3,5-difluorophenoxy)ethyl]piperidine
CID 117051139
methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate
CID 117053576
2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid
CID 116825073
2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid
CID 117094856
3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43698690
5-[1-(3,5-difluorophenoxy)ethyl]cyclohexane-1,3-dione
CID 52938209
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine?
The IUPAC name of 1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine (CID 146589184) is 1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine.
What is the SMILES notation for 1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine?
The canonical SMILES for 1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine is CC(Oc1c(F)cc(F)cc1F)C1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine?
The InChIKey is HIQWBNYKWZMOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9(10-3-5-18(2)6-4-10)19-14-12(16)7-11(15)8-13(14)17/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine?
1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine has a molecular weight of 273.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine is sourced from PubChem (CID 146589184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).