[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone

C20H23FN2O2 — CID 53037953

IUPAC[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(CCOCc2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O2/c21-19-4-2-1-3-18(19)15-25-14-9-16-7-12-23(13-8-16)20(24)17-5-10-22-11-6-17/h1-6,10-11,16H,7-9,12-15H2
InChIKeyYDGMPIIHJKNGOB-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.68
Rot. Bonds6

About [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 53037953) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID53037953
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(CCOCc2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O2/c21-19-4-2-1-3-18(19)15-25-14-9-16-7-12-23(13-8-16)20(24)17-5-10-22-11-6-17/h1-6,10-11,16H,7-9,12-15H2
InChIKeyYDGMPIIHJKNGOB-UHFFFAOYSA-N
XLogP3.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-but-2-enedioic acid;4-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine
CID 44357975
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(pyridine-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91919168
2-Methyl-heptyl isonicotinate
CID 54586506
Isonicotinic acid, phenylmethyl ester
CID 533045
N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 66705980
(2-Fluoro-phenyl)-(4'-hydroxy-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-yl)-methanone
CID 645240
(2,6-Difluoro-phenyl)-(4'-hydroxy-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-yl)-methanone
CID 650334
(4-Fluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 648337
(3-Fluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;hydrochloride
CID 9549626
4-({3-[2-(4-Fluorophenyl)ethyl]-1-piperidinyl}carbonyl)pyridine
CID 56875757
3-Fluoro-4-[(3-{[2-(piperidine-1-carbonyl)phenoxy]methyl}piperidin-1-YL)methyl]pyridine
CID 91913453
3-Fluoro-4-[(3-{[2-(pyrrolidin-1-ylcarbonyl)phenoxy]methyl}piperidin-1-yl)methyl]pyridine
CID 91913493

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 53037953) is [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(CCOCc2ccccc2F)CC1.
What is the InChIKey of [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is YDGMPIIHJKNGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-19-4-2-1-3-18(19)15-25-14-9-16-7-12-23(13-8-16)20(24)17-5-10-22-11-6-17/h1-6,10-11,16H,7-9,12-15H2.
What are the key properties of [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 342.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 53037953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).