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

C12H19F2N3O — CID 62020281

IUPAC2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1nccn1C(F)F
InChIInChI=1S/C12H19F2N3O/c13-12(14)17-7-5-15-11(17)9-16-6-2-1-3-10(16)4-8-18/h5,7,10,12,18H,1-4,6,8-9H2
InChIKeyRWGDNLDEIKYMOW-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.02
Rot. Bonds5

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

2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol (PubChem CID 62020281) 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-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol
PubChem CID62020281
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1nccn1C(F)F
InChIInChI=1S/C12H19F2N3O/c13-12(14)17-7-5-15-11(17)9-16-6-2-1-3-10(16)4-8-18/h5,7,10,12,18H,1-4,6,8-9H2
InChIKeyRWGDNLDEIKYMOW-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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-2-yl]ethanol?
The IUPAC name of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol (CID 62020281) is 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol is OCCC1CCCCN1Cc1nccn1C(F)F.
What is the InChIKey of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol?
The InChIKey is RWGDNLDEIKYMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c13-12(14)17-7-5-15-11(17)9-16-6-2-1-3-10(16)4-8-18/h5,7,10,12,18H,1-4,6,8-9H2.
What are the key properties of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol?
2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol has a molecular weight of 259.30 g/mol, XLogP of 2.02, 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-2-yl]ethanol is sourced from PubChem (CID 62020281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).