(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone

C19H24FN3O2 — CID 97140073

IUPAC(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(C)n1ccnc1C1CCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O2/c1-13(2)23-12-9-21-18(23)15-7-10-22(11-8-15)19(25)17(24)14-3-5-16(20)6-4-14/h3-6,9,12-13,15,17,24H,7-8,10-11H2,1-2H3/t17-/m1/s1
InChIKeyUJBAFZPPHKZGIE-QGZVFWFLSA-N
MW345.42 g/mol
LogP3.04
Rot. Bonds4

About (2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone

(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 97140073) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID97140073
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(C)n1ccnc1C1CCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O2/c1-13(2)23-12-9-21-18(23)15-7-10-22(11-8-15)19(25)17(24)14-3-5-16(20)6-4-14/h3-6,9,12-13,15,17,24H,7-8,10-11H2,1-2H3/t17-/m1/s1
InChIKeyUJBAFZPPHKZGIE-QGZVFWFLSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97122655
(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 97284668
(2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97270242
(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 46215888
2-(4-fluorophenyl)-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 134506544
[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 72897297
2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
CID 82127986
(5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 72874443
(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 72881750
2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110313552
(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97196379
6-ethyl-1,5-dimethyl-3-[4-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 72881709

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone (CID 97140073) is (2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone is CC(C)n1ccnc1C1CCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is UJBAFZPPHKZGIE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-13(2)23-12-9-21-18(23)15-7-10-22(11-8-15)19(25)17(24)14-3-5-16(20)6-4-14/h3-6,9,12-13,15,17,24H,7-8,10-11H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 345.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97140073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).