1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one

C22H25FN2O2 — CID 16674055

IUPAC1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H25FN2O2/c23-20-5-2-1-4-19(20)22(27)11-14-24(15-12-22)16-17-7-9-18(10-8-17)25-13-3-6-21(25)26/h1-2,4-5,7-10,27H,3,6,11-16H2
InChIKeyIHTFXJNJRFOPCT-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.44
Rot. Bonds4

About 1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one

1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one (PubChem CID 16674055) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
PubChem CID16674055
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H25FN2O2/c23-20-5-2-1-4-19(20)22(27)11-14-24(15-12-22)16-17-7-9-18(10-8-17)25-13-3-6-21(25)26/h1-2,4-5,7-10,27H,3,6,11-16H2
InChIKeyIHTFXJNJRFOPCT-UHFFFAOYSA-N
XLogP3.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one (CID 16674055) is 1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is IHTFXJNJRFOPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-20-5-2-1-4-19(20)22(27)11-14-24(15-12-22)16-17-7-9-18(10-8-17)25-13-3-6-21(25)26/h1-2,4-5,7-10,27H,3,6,11-16H2.
What are the key properties of 1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 368.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 16674055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).