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

C12H18F3N3 — CID 129227665

IUPAC1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCC(C)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C12H18F3N3/c1-8(2)18-5-3-9(4-6-18)11-16-7-10(17-11)12(13,14)15/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyFBPXVWSHQBOCPP-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.02
Rot. Bonds2

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

1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (PubChem CID 129227665) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
PubChem CID129227665
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCC(C)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C12H18F3N3/c1-8(2)18-5-3-9(4-6-18)11-16-7-10(17-11)12(13,14)15/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyFBPXVWSHQBOCPP-UHFFFAOYSA-N
XLogP3.02
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine
CID 11210869
4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine
CID 11474535
3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 43650966
5-Methyl-2-(trifluoromethyl)-1H-imidazole
CID 591585
(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 124710767
(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 124710768
3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 71996185
4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine
CID 90488066
3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 121552282
cyclopropyl(4-methyl-1H-imidazol-2-yl)methanamine
CID 130118459
methyl({[2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-yl]methyl})amine dihydrochloride
CID 132300981

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (CID 129227665) is 1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is CC(C)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is FBPXVWSHQBOCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8(2)18-5-3-9(4-6-18)11-16-7-10(17-11)12(13,14)15/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 261.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 129227665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).