2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine

C10H14F3N3 — CID 106779136

IUPAC2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine
SMILESCn1ccnc1C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C10H14F3N3/c1-16-5-4-14-9(16)8-3-2-7(6-15-8)10(11,12)13/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyUQRJNSVNOQNDAT-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.02
Rot. Bonds1

About 2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine

2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine (PubChem CID 106779136) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine
PubChem CID106779136
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine
SMILESCn1ccnc1C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C10H14F3N3/c1-16-5-4-14-9(16)8-3-2-7(6-15-8)10(11,12)13/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyUQRJNSVNOQNDAT-UHFFFAOYSA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine (CID 106779136) is 2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine is Cn1ccnc1C1CCC(C(F)(F)F)CN1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine?
The InChIKey is UQRJNSVNOQNDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-16-5-4-14-9(16)8-3-2-7(6-15-8)10(11,12)13/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine?
2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine has a molecular weight of 233.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 106779136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).