4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine

C10H14F3N3 — CID 105492302

IUPAC4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine
SMILESFC(F)(F)c1ncc(CC2CCNCC2)[nH]1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-15-6-8(16-9)5-7-1-3-14-4-2-7/h6-7,14H,1-5H2,(H,15,16)
InChIKeyNDXDMKKBLZEJOX-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.97
Rot. Bonds2

About 4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine

4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine (PubChem CID 105492302) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine
PubChem CID105492302
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine
SMILESFC(F)(F)c1ncc(CC2CCNCC2)[nH]1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-15-6-8(16-9)5-7-1-3-14-4-2-7/h6-7,14H,1-5H2,(H,15,16)
InChIKeyNDXDMKKBLZEJOX-UHFFFAOYSA-N
XLogP1.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 114998934
4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine
CID 115039341
4-(1H-imidazol-5-ylmethyl)piperidine
CID 3035842
4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 84806750
4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidine
CID 67753697
3,5-difluoro-2-(piperidin-4-ylmethyl)pyridine
CID 170068814
5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole
CID 116883636
2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine
CID 18187469
5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole
CID 105492306
2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride
CID 171699876
4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine
CID 166105232
4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine
CID 170068720

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine?
The IUPAC name of 4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine (CID 105492302) is 4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine.
What is the SMILES notation for 4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine?
The canonical SMILES for 4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine is FC(F)(F)c1ncc(CC2CCNCC2)[nH]1.
What is the InChIKey of 4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine?
The InChIKey is NDXDMKKBLZEJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)9-15-6-8(16-9)5-7-1-3-14-4-2-7/h6-7,14H,1-5H2,(H,15,16).
What are the key properties of 4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine?
4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine has a molecular weight of 233.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine is sourced from PubChem (CID 105492302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).