4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine

C15H16F3NO — CID 171092885

IUPAC4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine
SMILESCOC1(C#Cc2ccc(C(F)(F)F)cc2)CCNCC1
InChIInChI=1S/C15H16F3NO/c1-20-14(8-10-19-11-9-14)7-6-12-2-4-13(5-3-12)15(16,17)18/h2-5,19H,8-11H2,1H3
InChIKeyLYDHIQBQZUXZRC-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.83
Rot. Bonds1

About 4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine

4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine (PubChem CID 171092885) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine.

Molecular Properties

Compound Name4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine
PubChem CID171092885
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine
SMILESCOC1(C#Cc2ccc(C(F)(F)F)cc2)CCNCC1
InChIInChI=1S/C15H16F3NO/c1-20-14(8-10-19-11-9-14)7-6-12-2-4-13(5-3-12)15(16,17)18/h2-5,19H,8-11H2,1H3
InChIKeyLYDHIQBQZUXZRC-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrrolidine
CID 171092981
1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol
CID 163274338
1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 86099970
1-(3-methoxyprop-1-ynyl)-4-(trifluoromethyl)benzene
CID 21305207
1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene
CID 143875518
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058979
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705583
N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 116999995
ethane;1-(3-methylbut-1-ynyl)-4-(trifluoromethyl)benzene
CID 143067746
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 66801661

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine?
The IUPAC name of 4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine (CID 171092885) is 4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine.
What is the SMILES notation for 4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine?
The canonical SMILES for 4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine is COC1(C#Cc2ccc(C(F)(F)F)cc2)CCNCC1.
What is the InChIKey of 4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine?
The InChIKey is LYDHIQBQZUXZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-20-14(8-10-19-11-9-14)7-6-12-2-4-13(5-3-12)15(16,17)18/h2-5,19H,8-11H2,1H3.
What are the key properties of 4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine?
4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine has a molecular weight of 283.29 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine is sourced from PubChem (CID 171092885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).