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

C11H17F2N3O — CID 60712662

IUPAC[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2nccn2C(F)F)C1
InChIInChI=1S/C11H17F2N3O/c12-11(13)16-5-3-14-10(16)7-15-4-1-2-9(6-15)8-17/h3,5,9,11,17H,1-2,4,6-8H2
InChIKeyDJQNKROCFKYZCK-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.48
Rot. Bonds4

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

[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methanol (PubChem CID 60712662) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methanol
PubChem CID60712662
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2nccn2C(F)F)C1
InChIInChI=1S/C11H17F2N3O/c12-11(13)16-5-3-14-10(16)7-15-4-1-2-9(6-15)8-17/h3,5,9,11,17H,1-2,4,6-8H2
InChIKeyDJQNKROCFKYZCK-UHFFFAOYSA-N
XLogP1.48
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.48
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-3-yl]methanol?
The IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methanol (CID 60712662) is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methanol is OCC1CCCN(Cc2nccn2C(F)F)C1.
What is the InChIKey of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is DJQNKROCFKYZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c12-11(13)16-5-3-14-10(16)7-15-4-1-2-9(6-15)8-17/h3,5,9,11,17H,1-2,4,6-8H2.
What are the key properties of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methanol?
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 245.27 g/mol, XLogP of 1.48, 4 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-3-yl]methanol is sourced from PubChem (CID 60712662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).