[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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Related Compounds

1H-Imidazole-1-pentanol
CID 12803320
{5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-yl}methanol
CID 67127119
4-(1-methyl-1H-imidazol-2-yl)butan-1-ol
CID 68279649
3-[(1-Methylimidazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 53615638
1-[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787475
{3-ethyl-1-[(1-propyl-1H-imidazol-2-yl)methyl]-3-piperidinyl}methanol
CID 72878540
2-[4-[[(1-Ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol
CID 53622462
1-[2-(2-Propan-2-ylimidazol-1-yl)ethyl]piperidin-4-ol
CID 56867802
2-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-4-yl)ethanol
CID 91766409
[(3S)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol
CID 97120591
2-Methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol
CID 170402572
3-Methyl-2-[[2-(trifluoromethyl)imidazol-1-yl]methyl]butan-1-ol
CID 170416370

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).