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

C14H18F3NO — CID 59726172

IUPAC1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESCN1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3NO/c1-18-8-6-12(7-9-18)10-11-2-4-13(5-3-11)19-14(15,16)17/h2-5,12H,6-10H2,1H3
InChIKeyFPPHORQBTOHKQE-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.47
Rot. Bonds3

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

1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine (PubChem CID 59726172) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
PubChem CID59726172
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESCN1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3NO/c1-18-8-6-12(7-9-18)10-11-2-4-13(5-3-11)19-14(15,16)17/h2-5,12H,6-10H2,1H3
InChIKeyFPPHORQBTOHKQE-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The IUPAC name of 1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine (CID 59726172) is 1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The canonical SMILES for 1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine is CN1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The InChIKey is FPPHORQBTOHKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-18-8-6-12(7-9-18)10-11-2-4-13(5-3-11)19-14(15,16)17/h2-5,12H,6-10H2,1H3.
What are the key properties of 1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine has a molecular weight of 273.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 59726172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).