1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine

C11H16F3N3 — CID 131703561

IUPAC1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine
SMILESCn1cncc1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3/c1-16-8-15-6-10(16)7-17-4-2-9(3-5-17)11(12,13)14/h6,8-9H,2-5,7H2,1H3
InChIKeyJQBHINARHUMWTQ-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.19
Rot. Bonds2

About 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine

1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine (PubChem CID 131703561) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine
PubChem CID131703561
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine
SMILESCn1cncc1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3/c1-16-8-15-6-10(16)7-17-4-2-9(3-5-17)11(12,13)14/h6,8-9H,2-5,7H2,1H3
InChIKeyJQBHINARHUMWTQ-UHFFFAOYSA-N
XLogP2.19
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine (CID 131703561) is 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine is Cn1cncc1CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is JQBHINARHUMWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-16-8-15-6-10(16)7-17-4-2-9(3-5-17)11(12,13)14/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine?
1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 247.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 131703561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).