3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol

C12H20F2N4O — CID 111544146

IUPAC3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol
SMILESOCCCN1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C12H20F2N4O/c13-12(14)18-4-2-15-11(18)10-17-7-5-16(6-8-17)3-1-9-19/h2,4,12,19H,1,3,5-10H2
InChIKeyGVGAXIRANITLKK-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.78
Rot. Bonds6

About 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol

3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol (PubChem CID 111544146) has the molecular formula C12H20F2N4O and a molecular weight of 274.31 g/mol. Its IUPAC name is 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol
PubChem CID111544146
Molecular FormulaC12H20F2N4O
Molecular Weight274.31 g/mol
Exact Mass274.16
IUPAC Name3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol
SMILESOCCCN1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C12H20F2N4O/c13-12(14)18-4-2-15-11(18)10-17-7-5-16(6-8-17)3-1-9-19/h2,4,12,19H,1,3,5-10H2
InChIKeyGVGAXIRANITLKK-UHFFFAOYSA-N
XLogP0.78
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol (CID 111544146) is 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol is OCCCN1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol?
The InChIKey is GVGAXIRANITLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4O/c13-12(14)18-4-2-15-11(18)10-17-7-5-16(6-8-17)3-1-9-19/h2,4,12,19H,1,3,5-10H2.
What are the key properties of 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol?
3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol has a molecular weight of 274.31 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 111544146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).