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

C12H19F3N4 — CID 172584108

IUPAC1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(c2nc(C(F)(F)F)cn2C)CC1
InChIInChI=1S/C12H19F3N4/c1-8(16)9-3-5-19(6-4-9)11-17-10(7-18(11)2)12(13,14)15/h7-9H,3-6,16H2,1-2H3
InChIKeyVUHYHWAKUBYMOD-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.00
Rot. Bonds2

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

1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine (PubChem CID 172584108) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine
PubChem CID172584108
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(c2nc(C(F)(F)F)cn2C)CC1
InChIInChI=1S/C12H19F3N4/c1-8(16)9-3-5-19(6-4-9)11-17-10(7-18(11)2)12(13,14)15/h7-9H,3-6,16H2,1-2H3
InChIKeyVUHYHWAKUBYMOD-UHFFFAOYSA-N
XLogP2.00
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol
CID 172584100
1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one
CID 172584198
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine
CID 103976672
2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 175444724
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
CID 63595044
2-chloro-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]-5-nitropyrimidin-4-amine
CID 165135292
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid
CID 83849784
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine
CID 106551938
2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
CID 106838452
7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710094

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine (CID 172584108) is 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine is CC(N)C1CCN(c2nc(C(F)(F)F)cn2C)CC1.
What is the InChIKey of 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine?
The InChIKey is VUHYHWAKUBYMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-8(16)9-3-5-19(6-4-9)11-17-10(7-18(11)2)12(13,14)15/h7-9H,3-6,16H2,1-2H3.
What are the key properties of 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine?
1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine has a molecular weight of 276.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 172584108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).