[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol

C17H20F3N3O — CID 111109189

IUPAC[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)C1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C17H20F3N3O/c18-14-3-1-12(2-4-14)16(24)13-5-8-22(9-6-13)11-15-21-7-10-23(15)17(19)20/h1-4,7,10,13,16-17,24H,5-6,8-9,11H2
InChIKeyRYLAXSABIXOKNS-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.36
Rot. Bonds5

About [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol

[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol (PubChem CID 111109189) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol
PubChem CID111109189
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)C1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C17H20F3N3O/c18-14-3-1-12(2-4-14)16(24)13-5-8-22(9-6-13)11-15-21-7-10-23(15)17(19)20/h1-4,7,10,13,16-17,24H,5-6,8-9,11H2
InChIKeyRYLAXSABIXOKNS-UHFFFAOYSA-N
XLogP3.36
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol (CID 111109189) is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)C1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol?
The InChIKey is RYLAXSABIXOKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c18-14-3-1-12(2-4-14)16(24)13-5-8-22(9-6-13)11-15-21-7-10-23(15)17(19)20/h1-4,7,10,13,16-17,24H,5-6,8-9,11H2.
What are the key properties of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol?
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol has a molecular weight of 339.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 111109189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).