2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol

C14H23F3N4O — CID 56779829

IUPAC2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(CNCc2nccn2CC(F)(F)F)CC1
InChIInChI=1S/C14H23F3N4O/c15-14(16,17)11-21-6-3-19-13(21)10-18-9-12-1-4-20(5-2-12)7-8-22/h3,6,12,18,22H,1-2,4-5,7-11H2
InChIKeyJRDKEVOHFKVCRB-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.24
Rot. Bonds7

About 2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol

2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol (PubChem CID 56779829) has the molecular formula C14H23F3N4O and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol
PubChem CID56779829
Molecular FormulaC14H23F3N4O
Molecular Weight320.36 g/mol
Exact Mass320.18
IUPAC Name2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(CNCc2nccn2CC(F)(F)F)CC1
InChIInChI=1S/C14H23F3N4O/c15-14(16,17)11-21-6-3-19-13(21)10-18-9-12-1-4-20(5-2-12)7-8-22/h3,6,12,18,22H,1-2,4-5,7-11H2
InChIKeyJRDKEVOHFKVCRB-UHFFFAOYSA-N
XLogP1.24
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

(1-methyl-1H-imidazol-2-yl)(piperidin-4-yl)methanol
CID 44721319
3,3-Dimethyl-1-[4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol
CID 53577803
1-[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787475
N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 45830125
1-[4-[[Methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 53616567
2-[4-[[(1-Ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol
CID 53622462
2,2-difluoro-N-({1-[(1-propyl-1H-imidazol-2-yl)methyl]piperidin-3-yl}methyl)acetamide
CID 56753573
1-[4-[[(1-Ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56779882
[(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-piperidinyl)methyl]methylamine dihydrochloride
CID 74247070
1-(2-Nitroimidazol-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 24821019
2-Imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 58039354
2-[2-Piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol
CID 67112090

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol (CID 56779829) is 2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol is OCCN1CCC(CNCc2nccn2CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol?
The InChIKey is JRDKEVOHFKVCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4O/c15-14(16,17)11-21-6-3-19-13(21)10-18-9-12-1-4-20(5-2-12)7-8-22/h3,6,12,18,22H,1-2,4-5,7-11H2.
What are the key properties of 2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol?
2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol has a molecular weight of 320.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 56779829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).