1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane

C19H33F2N3O — CID 156730979

IUPAC1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane
SMILESC=C(CCN1CCC(F)(F)CC1)n1cc(C)nc1C(O)C(C)C.CC
InChIInChI=1S/C17H27F2N3O.C2H6/c1-12(2)15(23)16-20-13(3)11-22(16)14(4)5-8-21-9-6-17(18,19)7-10-21;1-2/h11-12,15,23H,4-10H2,1-3H3;1-2H3
InChIKeyBLHJSUIHXSHVSV-UHFFFAOYSA-N
MW357.49 g/mol
LogP4.50
Rot. Bonds6

About 1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane

1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane (PubChem CID 156730979) has the molecular formula C19H33F2N3O and a molecular weight of 357.49 g/mol. Its IUPAC name is 1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane.

Molecular Properties

Compound Name1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane
PubChem CID156730979
Molecular FormulaC19H33F2N3O
Molecular Weight357.49 g/mol
Exact Mass357.26
IUPAC Name1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane
SMILESC=C(CCN1CCC(F)(F)CC1)n1cc(C)nc1C(O)C(C)C.CC
InChIInChI=1S/C17H27F2N3O.C2H6/c1-12(2)15(23)16-20-13(3)11-22(16)14(4)5-8-21-9-6-17(18,19)7-10-21;1-2/h11-12,15,23H,4-10H2,1-3H3;1-2H3
InChIKeyBLHJSUIHXSHVSV-UHFFFAOYSA-N
XLogP4.50
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-(piperidin-4-yl)-4-(2,2,2-trifluoroethyl)-1H-imidazol-1-yl)ethanol dihydrochloride
CID 67112089
2-[2-Piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol
CID 67112090
Tert-butyl 4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 117867124
tert-butyl 4-(1-(2-hydroxyethyl)-4-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 117867285
2-[2-Piperidin-4-yl-4-(trifluoromethyl)imidazol-1-yl]ethanol;dihydrochloride
CID 117867394
2-[2-Piperidin-4-yl-4-(trifluoromethyl)imidazol-1-yl]ethanol
CID 117867395
[1-[4-Methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol
CID 135265790
[1-[(4,4-Difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol
CID 141394692
2-[1-[(4,4-Difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]propan-2-ol
CID 149918403
1-(1,4-Dimethylimidazol-2-yl)-2,2,2-trifluoroethanol
CID 156271485
1-[1-[3-(4,4-Difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylimidazol-2-yl]-2,2,2-trifluoroethanol
CID 156287732
1-[1-(3-Fluorobut-3-enyl)-4-methylimidazol-2-yl]-2-methylpropan-1-ol
CID 156287899

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane?
The IUPAC name of 1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane (CID 156730979) is 1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane.
What is the SMILES notation for 1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane?
The canonical SMILES for 1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane is C=C(CCN1CCC(F)(F)CC1)n1cc(C)nc1C(O)C(C)C.CC.
What is the InChIKey of 1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane?
The InChIKey is BLHJSUIHXSHVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N3O.C2H6/c1-12(2)15(23)16-20-13(3)11-22(16)14(4)5-8-21-9-6-17(18,19)7-10-21;1-2/h11-12,15,23H,4-10H2,1-3H3;1-2H3.
What are the key properties of 1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane?
1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane has a molecular weight of 357.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4,4-difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane is sourced from PubChem (CID 156730979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).