3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine

C12H18F3N3 — CID 110103880

IUPAC3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine
SMILESCc1cnc(C2CCCN(CCC(F)(F)F)C2)[nH]1
InChIInChI=1S/C12H18F3N3/c1-9-7-16-11(17-9)10-3-2-5-18(8-10)6-4-12(13,14)15/h7,10H,2-6,8H2,1H3,(H,16,17)
InChIKeyAEQOABXQWRHISK-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.85
Rot. Bonds3

About 3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine

3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine (PubChem CID 110103880) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine
PubChem CID110103880
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine
SMILESCc1cnc(C2CCCN(CCC(F)(F)F)C2)[nH]1
InChIInChI=1S/C12H18F3N3/c1-9-7-16-11(17-9)10-3-2-5-18(8-10)6-4-12(13,14)15/h7,10H,2-6,8H2,1H3,(H,16,17)
InChIKeyAEQOABXQWRHISK-UHFFFAOYSA-N
XLogP2.85
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine (CID 110103880) is 3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine is Cc1cnc(C2CCCN(CCC(F)(F)F)C2)[nH]1.
What is the InChIKey of 3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is AEQOABXQWRHISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-9-7-16-11(17-9)10-3-2-5-18(8-10)6-4-12(13,14)15/h7,10H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine?
3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 261.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 110103880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).