[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone

C18H20FNO2 — CID 42239830

IUPAC[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@@H](CCc2ccccc2F)C1
InChIInChI=1S/C18H20FNO2/c19-16-7-2-1-6-15(16)10-9-14-5-3-11-20(13-14)18(21)17-8-4-12-22-17/h1-2,4,6-8,12,14H,3,5,9-11,13H2/t14-/m0/s1
InChIKeyULNJYDIPGLRETF-AWEZNQCLSA-N
MW301.36 g/mol
LogP3.90
Rot. Bonds4

About [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone

[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 42239830) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID42239830
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@@H](CCc2ccccc2F)C1
InChIInChI=1S/C18H20FNO2/c19-16-7-2-1-6-15(16)10-9-14-5-3-11-20(13-14)18(21)17-8-4-12-22-17/h1-2,4,6-8,12,14H,3,5,9-11,13H2/t14-/m0/s1
InChIKeyULNJYDIPGLRETF-AWEZNQCLSA-N
XLogP3.90
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95463500
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 25384762
2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]benzonitrile
CID 95463717
(3-fluoro-2-methoxyphenyl)-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550301
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 42310649
(1-aminocyclopropyl)-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95552859
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 50978916
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56861522
1-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42099274
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 56861954
1-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 26335077

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone (CID 42239830) is [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC[C@@H](CCc2ccccc2F)C1.
What is the InChIKey of [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is ULNJYDIPGLRETF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FNO2/c19-16-7-2-1-6-15(16)10-9-14-5-3-11-20(13-14)18(21)17-8-4-12-22-17/h1-2,4,6-8,12,14H,3,5,9-11,13H2/t14-/m0/s1.
What are the key properties of [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone?
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 301.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 42239830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).