methyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate

C12H17F2N3O2 — CID 79832971

IUPACmethyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1nccn1C(F)F
InChIInChI=1S/C12H17F2N3O2/c1-19-11(18)9-4-2-3-6-16(9)8-10-15-5-7-17(10)12(13)14/h5,7,9,12H,2-4,6,8H2,1H3/t9-/m1/s1
InChIKeyUZVWQHYPAOTGCC-SECBINFHSA-N
MW273.28 g/mol
LogP1.81
Rot. Bonds4

About methyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate

methyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate (PubChem CID 79832971) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is methyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate
PubChem CID79832971
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Namemethyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1nccn1C(F)F
InChIInChI=1S/C12H17F2N3O2/c1-19-11(18)9-4-2-3-6-16(9)8-10-15-5-7-17(10)12(13)14/h5,7,9,12H,2-4,6,8H2,1H3/t9-/m1/s1
InChIKeyUZVWQHYPAOTGCC-SECBINFHSA-N
XLogP1.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5H,6H,7H,8H-imidazo[1,2-a]pyridine-5-carboxylic acid hydrochloride
CID 71756831
methyl (2R)-2-(1H-imidazol-1-yl)-4-methylpentanoate
CID 122164028
3-[[1-(Difluoromethyl)imidazol-2-yl]methyl-methylamino]-5-methyloxolan-2-one
CID 72114631
5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 45082602
3,3-Difluoro-2-(3-prop-2-enylimidazol-3-ium-1-yl)heptanoic acid
CID 87199203
Trifluoromethyl 2-imidazol-1-yl-3-methylhexanoate
CID 174606773
Methyl 1-imidazolyl laureate
CID 129774627
Methyl 6-(3-methylimidazol-3-ium-1-yl)hexanoate
CID 138980886
6-(1-(2-Methoxyethyl) imidazol-3-io)-hexanoate
CID 166449992
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylic acid
CID 43441040
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carbaldehyde
CID 55110705
Ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-propan-2-ylamino]acetate
CID 55207445

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate (CID 79832971) is methyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1nccn1C(F)F.
What is the InChIKey of methyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate?
The InChIKey is UZVWQHYPAOTGCC-SECBINFHSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-19-11(18)9-4-2-3-6-16(9)8-10-15-5-7-17(10)12(13)14/h5,7,9,12H,2-4,6,8H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate?
methyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate has a molecular weight of 273.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 79832971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).