1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol

C13H22F2N4O — CID 111489336

IUPAC1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol
SMILESCCC(CN1CCN(CC1)CC2=NC=CN2C(F)F)O
InChIInChI=1S/C13H22F2N4O/c1-2-11(20)9-17-5-7-18(8-6-17)10-12-16-3-4-19(12)13(14)15/h3-4,11,13,20H,2,5-10H2,1H3
InChIKeyYYVUMHRAPACIBY-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.80
Rot. Bonds6

About 1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol

1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol (PubChem CID 111489336) has the molecular formula C13H22F2N4O and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol
PubChem CID111489336
Molecular FormulaC13H22F2N4O
Molecular Weight288.34 g/mol
Exact Mass288.18
IUPAC Name1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol
SMILESCCC(CN1CCN(CC1)CC2=NC=CN2C(F)F)O
InChIInChI=1S/C13H22F2N4O/c1-2-11(20)9-17-5-7-18(8-6-17)10-12-16-3-4-19(12)13(14)15/h3-4,11,13,20H,2,5-10H2,1H3
InChIKeyYYVUMHRAPACIBY-UHFFFAOYSA-N
XLogP0.80
TPSA44.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity288

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alpha-methyl-1H-imidazole-1-ethanol
CID 109233
1-(2-methyl-1H-imidazol-1-yl)propan-2-ol
CID 11542800
1-Butyl-2-hydroxymethylimidazole
CID 579275
2-methyl-1-(1-methyl-1H-imidazol-2-yl)propan-1-ol
CID 21589488
2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 13615328
1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 21784237
1-(1-ethyl-1H-imidazol-2-yl)ethan-1-ol
CID 23564054
(1S)-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 81681206
1-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 53564615
3,3-Dimethyl-1-[4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol
CID 53577803
2-Methyl-4-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]morpholine
CID 53606404
3-[(1-Methylimidazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 53615638

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol?
The IUPAC name of 1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol (CID 111489336) is 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol is CCC(CN1CCN(CC1)CC2=NC=CN2C(F)F)O.
What is the InChIKey of 1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol?
The InChIKey is YYVUMHRAPACIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4O/c1-2-11(20)9-17-5-7-18(8-6-17)10-12-16-3-4-19(12)13(14)15/h3-4,11,13,20H,2,5-10H2,1H3.
What are the key properties of 1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol?
1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol has a molecular weight of 288.34 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 111489336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).