3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine

C15H17F3N4 — CID 71999804

IUPAC3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cnc(C2CCN(Cc3cccnc3)CC2)[nH]1
InChIInChI=1S/C15H17F3N4/c16-15(17,18)13-9-20-14(21-13)12-3-6-22(7-4-12)10-11-2-1-5-19-8-11/h1-2,5,8-9,12H,3-4,6-7,10H2,(H,20,21)
InChIKeyPOCHYZUORUQPGH-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.20
Rot. Bonds3

About 3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine

3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine (PubChem CID 71999804) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine
PubChem CID71999804
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cnc(C2CCN(Cc3cccnc3)CC2)[nH]1
InChIInChI=1S/C15H17F3N4/c16-15(17,18)13-9-20-14(21-13)12-3-6-22(7-4-12)10-11-2-1-5-19-8-11/h1-2,5,8-9,12H,3-4,6-7,10H2,(H,20,21)
InChIKeyPOCHYZUORUQPGH-UHFFFAOYSA-N
XLogP3.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 167890054
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126876394
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine
CID 95809192
4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 124889899
(3aS,6aS)-4-(pyridin-3-ylmethyl)-1-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 131685692
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 141455734
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
CID 141272197

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine (CID 71999804) is 3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine is FC(F)(F)c1cnc(C2CCN(Cc3cccnc3)CC2)[nH]1.
What is the InChIKey of 3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine?
The InChIKey is POCHYZUORUQPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c16-15(17,18)13-9-20-14(21-13)12-3-6-22(7-4-12)10-11-2-1-5-19-8-11/h1-2,5,8-9,12H,3-4,6-7,10H2,(H,20,21).
What are the key properties of 3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine?
3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine has a molecular weight of 310.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 71999804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).