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

C10H14F3N3 — CID 118295232

IUPAC4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
SMILESCn1cc(C(F)(F)F)nc1C1CCNCC1
InChIInChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-2-4-14-5-3-7/h6-7,14H,2-5H2,1H3
InChIKeyHGQNWBKTPPIOQQ-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.91
Rot. Bonds1

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

4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine (PubChem CID 118295232) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
PubChem CID118295232
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
SMILESCn1cc(C(F)(F)F)nc1C1CCNCC1
InChIInChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-2-4-14-5-3-7/h6-7,14H,2-5H2,1H3
InChIKeyHGQNWBKTPPIOQQ-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 43650966
2-methyl-5H,6H,7H,8H-imidazo(1,2-a)pyrazine
CID 14719924
2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine
CID 14719928
2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-amine
CID 43370280
4-(1-methyl-1H-imidazol-5-yl)piperidine
CID 44182357
8-methyl-2-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,2-a)pyrazine
CID 45480427
(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
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinamine dihydrochloride
CID 56701558
3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 55251966
4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine
CID 90488066
2-(2-Cyclobutyl-5-methyl-1H-imidazol-1-YL)ethan-1-amine
CID 91911587

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The IUPAC name of 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine (CID 118295232) is 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine is Cn1cc(C(F)(F)F)nc1C1CCNCC1.
What is the InChIKey of 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The InChIKey is HGQNWBKTPPIOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-2-4-14-5-3-7/h6-7,14H,2-5H2,1H3.
What are the key properties of 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine has a molecular weight of 233.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 118295232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).