2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol

C12H19F2N3O — CID 62355774

IUPAC2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2nccn2C(F)F)C1
InChIInChI=1S/C12H19F2N3O/c13-12(14)17-6-4-15-11(17)9-16-5-1-2-10(8-16)3-7-18/h4,6,10,12,18H,1-3,5,7-9H2
InChIKeyIEVNKGWBMXVBFF-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.87
Rot. Bonds5

About 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol

2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol (PubChem CID 62355774) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol
PubChem CID62355774
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2nccn2C(F)F)C1
InChIInChI=1S/C12H19F2N3O/c13-12(14)17-6-4-15-11(17)9-16-5-1-2-10(8-16)3-7-18/h4,6,10,12,18H,1-3,5,7-9H2
InChIKeyIEVNKGWBMXVBFF-UHFFFAOYSA-N
XLogP1.87
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol (CID 62355774) is 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol is OCCC1CCCN(Cc2nccn2C(F)F)C1.
What is the InChIKey of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol?
The InChIKey is IEVNKGWBMXVBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c13-12(14)17-6-4-15-11(17)9-16-5-1-2-10(8-16)3-7-18/h4,6,10,12,18H,1-3,5,7-9H2.
What are the key properties of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol?
2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol has a molecular weight of 259.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 62355774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).