1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one

C19H24FN3O2 — CID 97191690

IUPAC1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCN(C[C@H](O)c2ccccc2F)CC1
InChIInChI=1S/C19H24FN3O2/c20-17-6-2-1-5-16(17)18(24)15-22-11-9-21(10-12-22)13-14-23-8-4-3-7-19(23)25/h1-8,18,24H,9-15H2/t18-/m0/s1
InChIKeyPBZWYRFLQVGXFJ-SFHVURJKSA-N
MW345.42 g/mol
LogP1.34
Rot. Bonds6

About 1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one

1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one (PubChem CID 97191690) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one
PubChem CID97191690
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCN(C[C@H](O)c2ccccc2F)CC1
InChIInChI=1S/C19H24FN3O2/c20-17-6-2-1-5-16(17)18(24)15-22-11-9-21(10-12-22)13-14-23-8-4-3-7-19(23)25/h1-8,18,24H,9-15H2/t18-/m0/s1
InChIKeyPBZWYRFLQVGXFJ-SFHVURJKSA-N
XLogP1.34
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one (CID 97191690) is 1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one is O=c1ccccn1CCN1CCN(C[C@H](O)c2ccccc2F)CC1.
What is the InChIKey of 1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one?
The InChIKey is PBZWYRFLQVGXFJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-17-6-2-1-5-16(17)18(24)15-22-11-9-21(10-12-22)13-14-23-8-4-3-7-19(23)25/h1-8,18,24H,9-15H2/t18-/m0/s1.
What are the key properties of 1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one?
1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one has a molecular weight of 345.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 97191690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).