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

C10H14F3N3O — CID 172584100

IUPAC1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol
SMILESCn1cc(C(F)(F)F)nc1N1CCC(O)CC1
InChIInChI=1S/C10H14F3N3O/c1-15-6-8(10(11,12)13)14-9(15)16-4-2-7(17)3-5-16/h6-7,17H,2-5H2,1H3
InChIKeyXYBQJRWOCBVXJO-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.40
Rot. Bonds1

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

1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol (PubChem CID 172584100) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol
PubChem CID172584100
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol
SMILESCn1cc(C(F)(F)F)nc1N1CCC(O)CC1
InChIInChI=1S/C10H14F3N3O/c1-15-6-8(10(11,12)13)14-9(15)16-4-2-7(17)3-5-16/h6-7,17H,2-5H2,1H3
InChIKeyXYBQJRWOCBVXJO-UHFFFAOYSA-N
XLogP1.40
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine
CID 172584108
1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one
CID 172584198
2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 175444724
2-chloro-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]-5-nitropyrimidin-4-amine
CID 165135292
1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 114563784
4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol
CID 133446751
1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol
CID 70845344
2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol
CID 172584107
2-tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid
CID 83849784
1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 102717208
[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128980186

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol?
The IUPAC name of 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol (CID 172584100) is 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol is Cn1cc(C(F)(F)F)nc1N1CCC(O)CC1.
What is the InChIKey of 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol?
The InChIKey is XYBQJRWOCBVXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-15-6-8(10(11,12)13)14-9(15)16-4-2-7(17)3-5-16/h6-7,17H,2-5H2,1H3.
What are the key properties of 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol?
1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol has a molecular weight of 249.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol is sourced from PubChem (CID 172584100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).