1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one

C19H21ClN2O2 — CID 70767343

IUPAC1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one
SMILESO=C1CN(CC[C@@H](O)c2ccccc2)CCN1c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c20-16-8-4-5-9-17(16)22-13-12-21(14-19(22)24)11-10-18(23)15-6-2-1-3-7-15/h1-9,18,23H,10-14H2/t18-/m1/s1
InChIKeyWGLHYBOYEFMZMV-GOSISDBHSA-N
MW344.84 g/mol
LogP3.11
Rot. Bonds5

About 1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one

1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one (PubChem CID 70767343) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one
PubChem CID70767343
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one
SMILESO=C1CN(CC[C@@H](O)c2ccccc2)CCN1c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c20-16-8-4-5-9-17(16)22-13-12-21(14-19(22)24)11-10-18(23)15-6-2-1-3-7-15/h1-9,18,23H,10-14H2/t18-/m1/s1
InChIKeyWGLHYBOYEFMZMV-GOSISDBHSA-N
XLogP3.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one (CID 70767343) is 1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one is O=C1CN(CC[C@@H](O)c2ccccc2)CCN1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one?
The InChIKey is WGLHYBOYEFMZMV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-16-8-4-5-9-17(16)22-13-12-21(14-19(22)24)11-10-18(23)15-6-2-1-3-7-15/h1-9,18,23H,10-14H2/t18-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one?
1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one has a molecular weight of 344.84 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-2-one is sourced from PubChem (CID 70767343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).