fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate

C14H19FN2O3 — CID 143829248

IUPACfluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate
SMILESCO[C@H]1CN(c2cc(C(=O)OF)cc(C)n2)CC[C@H]1C
InChIInChI=1S/C14H19FN2O3/c1-9-4-5-17(8-12(9)19-3)13-7-11(14(18)20-15)6-10(2)16-13/h6-7,9,12H,4-5,8H2,1-3H3/t9-,12+/m1/s1
InChIKeyKOLTXQSALIWCTM-SKDRFNHKSA-N
MW282.31 g/mol
LogP2.29
Rot. Bonds3

About fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate

fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate (PubChem CID 143829248) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namefluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate
PubChem CID143829248
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Namefluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate
SMILESCO[C@H]1CN(c2cc(C(=O)OF)cc(C)n2)CC[C@H]1C
InChIInChI=1S/C14H19FN2O3/c1-9-4-5-17(8-12(9)19-3)13-7-11(14(18)20-15)6-10(2)16-13/h6-7,9,12H,4-5,8H2,1-3H3/t9-,12+/m1/s1
InChIKeyKOLTXQSALIWCTM-SKDRFNHKSA-N
XLogP2.29
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate with MolForge

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Related Compounds

Ethyl 3-cyano-6-methyl-2-piperidinoisonicotinate
CID 2813163
Methyl 5-cyano-6-(2,6-dimethylmorpholino)-2-methylnicotinate
CID 2769100
6-Methyl-2-morpholinonicotinic acid
CID 62700965
Ethyl 2-morpholinoisonicotinate
CID 2762944
Ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate
CID 2813164
Methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate
CID 71453177
Ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate
CID 66545192
2-(Diethylamino)-6-methylisonicotinic acid
CID 58418055
6-[(3R*,4S*)-4-hydroxy-3,4-dimethyl-1-piperidinyl]-2-pyridinecarboxylic acid
CID 72914798
2-(2-Fluoro-4-methylphenyl)-6-morpholin-4-ylisonicotinic acid
CID 67338108
Methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylisonicotinate
CID 67338283
6-Morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 67452898

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate?
The IUPAC name of fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate (CID 143829248) is fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate.
What is the SMILES notation for fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate?
The canonical SMILES for fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate is CO[C@H]1CN(c2cc(C(=O)OF)cc(C)n2)CC[C@H]1C.
What is the InChIKey of fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate?
The InChIKey is KOLTXQSALIWCTM-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-9-4-5-17(8-12(9)19-3)13-7-11(14(18)20-15)6-10(2)16-13/h6-7,9,12H,4-5,8H2,1-3H3/t9-,12+/m1/s1.
What are the key properties of fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate?
fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate has a molecular weight of 282.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 143829248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).