[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone

C19H20F2N2O — CID 56879699

IUPAC[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H20F2N2O/c20-16-7-5-14(6-8-16)3-4-15-2-1-11-23(13-15)19(24)17-9-10-22-12-18(17)21/h5-10,12,15H,1-4,11,13H2
InChIKeyZUJDOMQDKZQMAY-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.84
Rot. Bonds4

About [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone

[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone (PubChem CID 56879699) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
PubChem CID56879699
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H20F2N2O/c20-16-7-5-14(6-8-16)3-4-15-2-1-11-23(13-15)19(24)17-9-10-22-12-18(17)21/h5-10,12,15H,1-4,11,13H2
InChIKeyZUJDOMQDKZQMAY-UHFFFAOYSA-N
XLogP3.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120727383
[3-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 80660398
[3-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64955803
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid
CID 56911987
(2,3-difluorophenyl)-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95557591
(2,4-dimethylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 56864739
3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
CID 90650048
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 95401226
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 95554892
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56868776

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone (CID 56879699) is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone is O=C(c1ccncc1F)N1CCCC(CCc2ccc(F)cc2)C1.
What is the InChIKey of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is ZUJDOMQDKZQMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c20-16-7-5-14(6-8-16)3-4-15-2-1-11-23(13-15)19(24)17-9-10-22-12-18(17)21/h5-10,12,15H,1-4,11,13H2.
What are the key properties of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 330.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 56879699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).