methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate

C19H21FN2O3 — CID 66905663

IUPACmethyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N2CC[C@@H](CO)[C@H](c3ccccc3)C2)c(F)c1
InChIInChI=1S/C19H21FN2O3/c1-25-19(24)15-9-17(20)18(21-10-15)22-8-7-14(12-23)16(11-22)13-5-3-2-4-6-13/h2-6,9-10,14,16,23H,7-8,11-12H2,1H3/t14-,16-/m0/s1
InChIKeyKOFSIVPQYNDVRY-HOCLYGCPSA-N
MW344.39 g/mol
LogP2.61
Rot. Bonds4

About methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate

methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate (PubChem CID 66905663) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate
PubChem CID66905663
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Namemethyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N2CC[C@@H](CO)[C@H](c3ccccc3)C2)c(F)c1
InChIInChI=1S/C19H21FN2O3/c1-25-19(24)15-9-17(20)18(21-10-15)22-8-7-14(12-23)16(11-22)13-5-3-2-4-6-13/h2-6,9-10,14,16,23H,7-8,11-12H2,1H3/t14-,16-/m0/s1
InChIKeyKOFSIVPQYNDVRY-HOCLYGCPSA-N
XLogP2.61
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 59178747
[1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-4-yl]methanol
CID 139344346
2,2,2-trifluoro-1-[(3S,4S)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]ethanone
CID 59178499
5-chloro-6-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 155504715
1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 156541249
(4-methoxycarbonylphenyl) 3-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
CID 174554951
methyl 2-[4-amino-3-(hydroxymethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate
CID 129253288
[(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol
CID 126804917
(2R)-2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]propanoic acid
CID 20672324
methyl 6-(4-formylpiperazin-1-yl)-5-methylpyridine-3-carboxylate
CID 102544920
6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 24883089
tert-butyl 4-(5-methoxycarbonyl-3-phenyl-2-pyridinyl)piperazine-1-carboxylate
CID 59427561

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate (CID 66905663) is methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cnc(N2CC[C@@H](CO)[C@H](c3ccccc3)C2)c(F)c1.
What is the InChIKey of methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is KOFSIVPQYNDVRY-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-25-19(24)15-9-17(20)18(21-10-15)22-8-7-14(12-23)16(11-22)13-5-3-2-4-6-13/h2-6,9-10,14,16,23H,7-8,11-12H2,1H3/t14-,16-/m0/s1.
What are the key properties of methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate?
methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 66905663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).