4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one

C19H23N3O2 — CID 70380981

IUPAC4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one
SMILESCNc1ccccc1C1C(=O)NCCN1CC(O)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-20-16-10-6-5-9-15(16)18-19(24)21-11-12-22(18)13-17(23)14-7-3-2-4-8-14/h2-10,17-18,20,23H,11-13H2,1H3,(H,21,24)
InChIKeyBCRBCIUGKLYJSR-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.93
Rot. Bonds5

About 4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one

4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one (PubChem CID 70380981) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one
PubChem CID70380981
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one
SMILESCNc1ccccc1C1C(=O)NCCN1CC(O)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-20-16-10-6-5-9-15(16)18-19(24)21-11-12-22(18)13-17(23)14-7-3-2-4-8-14/h2-10,17-18,20,23H,11-13H2,1H3,(H,21,24)
InChIKeyBCRBCIUGKLYJSR-UHFFFAOYSA-N
XLogP1.93
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one?
The IUPAC name of 4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one (CID 70380981) is 4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one.
What is the SMILES notation for 4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one?
The canonical SMILES for 4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one is CNc1ccccc1C1C(=O)NCCN1CC(O)c1ccccc1.
What is the InChIKey of 4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one?
The InChIKey is BCRBCIUGKLYJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-20-16-10-6-5-9-15(16)18-19(24)21-11-12-22(18)13-17(23)14-7-3-2-4-8-14/h2-10,17-18,20,23H,11-13H2,1H3,(H,21,24).
What are the key properties of 4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one?
4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one has a molecular weight of 325.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one is sourced from PubChem (CID 70380981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).