methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate

C12H14F2N2O2 — CID 112676429

IUPACmethyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ncc(F)cc1F
InChIInChI=1S/C12H14F2N2O2/c1-18-12(17)10-4-2-3-5-16(10)11-9(14)6-8(13)7-15-11/h6-7,10H,2-5H2,1H3
InChIKeyMBWBOKNGVUHRQU-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.89
Rot. Bonds2

About methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate

methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate (PubChem CID 112676429) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate
PubChem CID112676429
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Namemethyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ncc(F)cc1F
InChIInChI=1S/C12H14F2N2O2/c1-18-12(17)10-4-2-3-5-16(10)11-9(14)6-8(13)7-15-11/h6-7,10H,2-5H2,1H3
InChIKeyMBWBOKNGVUHRQU-UHFFFAOYSA-N
XLogP1.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
CID 115538351
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
CID 115534569
methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate
CID 102562210
methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate
CID 104733431
methyl 1-(4-cyano-2,6-difluorophenyl)piperidine-2-carboxylate
CID 115534551
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
methyl 6-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-5-nitropyridine-3-carboxylate
CID 58324504
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate
CID 115538265
methyl 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 136989704
methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate
CID 113368331
methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate
CID 115538281

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate (CID 112676429) is methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1ncc(F)cc1F.
What is the InChIKey of methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate?
The InChIKey is MBWBOKNGVUHRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-18-12(17)10-4-2-3-5-16(10)11-9(14)6-8(13)7-15-11/h6-7,10H,2-5H2,1H3.
What are the key properties of methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate?
methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate has a molecular weight of 256.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate is sourced from PubChem (CID 112676429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).