2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one

C12H16F3N3O2 — CID 136570858

IUPAC2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCC(O)C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C12H16F3N3O2/c1-7(19)11(20)18-4-2-8(3-5-18)10-16-6-9(17-10)12(13,14)15/h6-8,19H,2-5H2,1H3,(H,16,17)
InChIKeyHGNMTYNRBDCBPN-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.52
Rot. Bonds2

About 2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one

2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 136570858) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID136570858
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCC(O)C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C12H16F3N3O2/c1-7(19)11(20)18-4-2-8(3-5-18)10-16-6-9(17-10)12(13,14)15/h6-8,19H,2-5H2,1H3,(H,16,17)
InChIKeyHGNMTYNRBDCBPN-UHFFFAOYSA-N
XLogP1.52
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 71990140
4-methoxy-2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-one
CID 86791067
[(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 164635704
N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide
CID 164636900
tert-butyl 4-(4-(trifluoromethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67112037
4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid
CID 67112312
1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentane-1,3-dione
CID 88535937
2-[2-Piperidin-4-yl-4-(trifluoromethyl)imidazol-1-yl]ethanol
CID 117867395
tert-butyl 3,3-difluoro-4-[5-(1-hydroxyethyl)-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 138683180
tert-butyl 4-[5-(difluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 170695455
1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 171853135
N-Ethyl-4-(5-(trifluoromethyl)-1H-imidazol-2-yl)piperidine-1-carboxamide
CID 71994495

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one (CID 136570858) is 2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one is CC(O)C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is HGNMTYNRBDCBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-7(19)11(20)18-4-2-8(3-5-18)10-16-6-9(17-10)12(13,14)15/h6-8,19H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one?
2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 291.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 136570858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).