[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone

C19H21FN2O3 — CID 70785166

IUPAC[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(CO)n1)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C19H21FN2O3/c20-16-7-1-2-9-18(16)25-13-14-5-4-10-22(11-14)19(24)17-8-3-6-15(12-23)21-17/h1-3,6-9,14,23H,4-5,10-13H2
InChIKeyFNOMAKLDIGDUHC-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.64
Rot. Bonds5

About [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone

[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone (PubChem CID 70785166) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
PubChem CID70785166
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(CO)n1)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C19H21FN2O3/c20-16-7-1-2-9-18(16)25-13-14-5-4-10-22(11-14)19(24)17-8-3-6-15(12-23)21-17/h1-3,6-9,14,23H,4-5,10-13H2
InChIKeyFNOMAKLDIGDUHC-UHFFFAOYSA-N
XLogP2.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 95897446
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone;dihydrochloride
CID 155941001
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 95885714
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide
CID 119071247
3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 46969823
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanone
CID 46970937
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone
CID 138385868

Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The IUPAC name of [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone (CID 70785166) is [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The canonical SMILES for [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone is O=C(c1cccc(CO)n1)N1CCCC(COc2ccccc2F)C1.
What is the InChIKey of [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The InChIKey is FNOMAKLDIGDUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-16-7-1-2-9-18(16)25-13-14-5-4-10-22(11-14)19(24)17-8-3-6-15(12-23)21-17/h1-3,6-9,14,23H,4-5,10-13H2.
What are the key properties of [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone has a molecular weight of 344.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 70785166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).