(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone

C20H20F3NO — CID 95550749

IUPAC(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCC[C@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C20H20F3NO/c21-16-10-8-14(9-11-16)6-7-15-3-2-12-24(13-15)20(25)19-17(22)4-1-5-18(19)23/h1,4-5,8-11,15H,2-3,6-7,12-13H2/t15-/m1/s1
InChIKeyJMYRIVDFKAPUCF-OAHLLOKOSA-N
MW347.38 g/mol
LogP4.59
Rot. Bonds4

About (2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone

(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 95550749) has the molecular formula C20H20F3NO and a molecular weight of 347.38 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
PubChem CID95550749
Molecular FormulaC20H20F3NO
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCC[C@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C20H20F3NO/c21-16-10-8-14(9-11-16)6-7-15-3-2-12-24(13-15)20(25)19-17(22)4-1-5-18(19)23/h1,4-5,8-11,15H,2-3,6-7,12-13H2/t15-/m1/s1
InChIKeyJMYRIVDFKAPUCF-OAHLLOKOSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-difluorophenyl)-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95557591
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95552871
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56872964
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 56879699
3-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56919385
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95542975
3-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]benzonitrile
CID 56872040
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 95556318
[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102978457
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 95550139

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone (CID 95550749) is (2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CCC[C@H](CCc2ccc(F)cc2)C1.
What is the InChIKey of (2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is JMYRIVDFKAPUCF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20F3NO/c21-16-10-8-14(9-11-16)6-7-15-3-2-12-24(13-15)20(25)19-17(22)4-1-5-18(19)23/h1,4-5,8-11,15H,2-3,6-7,12-13H2/t15-/m1/s1.
What are the key properties of (2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 347.38 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95550749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).