(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

C15H24F3N3O — CID 95978821

IUPAC(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESCc1cc(C)n(C[C@H]2CCCCN2CCOCC(F)(F)F)n1
InChIInChI=1S/C15H24F3N3O/c1-12-9-13(2)21(19-12)10-14-5-3-4-6-20(14)7-8-22-11-15(16,17)18/h9,14H,3-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyMUPZNKDYLPLMQU-CQSZACIVSA-N
MW319.37 g/mol
LogP2.93
Rot. Bonds6

About (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (PubChem CID 95978821) has the molecular formula C15H24F3N3O and a molecular weight of 319.37 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
PubChem CID95978821
Molecular FormulaC15H24F3N3O
Molecular Weight319.37 g/mol
Exact Mass319.19
IUPAC Name(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESCc1cc(C)n(C[C@H]2CCCCN2CCOCC(F)(F)F)n1
InChIInChI=1S/C15H24F3N3O/c1-12-9-13(2)21(19-12)10-14-5-3-4-6-20(14)7-8-22-11-15(16,17)18/h9,14H,3-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyMUPZNKDYLPLMQU-CQSZACIVSA-N
XLogP2.93
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The IUPAC name of (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (CID 95978821) is (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.
What is the SMILES notation for (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The canonical SMILES for (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is Cc1cc(C)n(C[C@H]2CCCCN2CCOCC(F)(F)F)n1.
What is the InChIKey of (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The InChIKey is MUPZNKDYLPLMQU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24F3N3O/c1-12-9-13(2)21(19-12)10-14-5-3-4-6-20(14)7-8-22-11-15(16,17)18/h9,14H,3-8,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine has a molecular weight of 319.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is sourced from PubChem (CID 95978821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).