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

C10H14F3N3 — CID 118303263

IUPAC1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C10H14F3N3/c1-16-4-2-7(3-5-16)9-14-6-8(15-9)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyLMSIQUGTYLJIMU-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.24
Rot. Bonds1

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

1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (PubChem CID 118303263) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
PubChem CID118303263
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C10H14F3N3/c1-16-4-2-7(3-5-16)9-14-6-8(15-9)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyLMSIQUGTYLJIMU-UHFFFAOYSA-N
XLogP2.24
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-imidazol-4-yl)piperidine
CID 10678418
2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
4-Methyl-2-propyl-1H-imidazole
CID 12199456
3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 43650966
5-Methyl-2-(trifluoromethyl)-1H-imidazole
CID 591585
[4-(trifluoromethyl)-1H-imidazol-2-yl]methanamine dihydrochloride
CID 119030846
(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
2,5-bis(trifluoromethyl)-1H-imidazole
CID 12811210
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (CID 118303263) is 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is LMSIQUGTYLJIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-16-4-2-7(3-5-16)9-14-6-8(15-9)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 233.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 118303263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).