[2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone

C22H25FN2O2 — CID 133266676

IUPAC[2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1-c1ccccc1F)N1C[C@@H](O)[C@H](N2CCCCC2)C1
InChIInChI=1S/C22H25FN2O2/c23-19-11-5-4-9-17(19)16-8-2-3-10-18(16)22(27)25-14-20(21(26)15-25)24-12-6-1-7-13-24/h2-5,8-11,20-21,26H,1,6-7,12-15H2/t20-,21-/m1/s1
InChIKeyKHNKTJMVQHFVHG-NHCUHLMSSA-N
MW368.45 g/mol
LogP3.16
Rot. Bonds3

About [2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone

[2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone (PubChem CID 133266676) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is [2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone
PubChem CID133266676
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name[2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1-c1ccccc1F)N1C[C@@H](O)[C@H](N2CCCCC2)C1
InChIInChI=1S/C22H25FN2O2/c23-19-11-5-4-9-17(19)16-8-2-3-10-18(16)22(27)25-14-20(21(26)15-25)24-12-6-1-7-13-24/h2-5,8-11,20-21,26H,1,6-7,12-15H2/t20-,21-/m1/s1
InChIKeyKHNKTJMVQHFVHG-NHCUHLMSSA-N
XLogP3.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 110108209
[(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone
CID 28766858
3-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carbonyl]-1-methylquinolin-4-one
CID 91840033
(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 110108182
1-(2-fluorobenzoyl)azetidine-3-carboxylate
CID 7100057
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 135120214
(3-chloro-4-hydroxyphenyl)-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 91837144
1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 133265703
[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 25276447
[2-(2-fluorophenyl)phenyl]-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]methanone
CID 118779013
[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone
CID 91797211

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone (CID 133266676) is [2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone is O=C(c1ccccc1-c1ccccc1F)N1C[C@@H](O)[C@H](N2CCCCC2)C1.
What is the InChIKey of [2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone?
The InChIKey is KHNKTJMVQHFVHG-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-19-11-5-4-9-17(19)16-8-2-3-10-18(16)22(27)25-14-20(21(26)15-25)24-12-6-1-7-13-24/h2-5,8-11,20-21,26H,1,6-7,12-15H2/t20-,21-/m1/s1.
What are the key properties of [2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone?
[2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone has a molecular weight of 368.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 133266676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).