1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone

C19H23N3O3 — CID 95321520

IUPAC1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
SMILESO=C(COc1cccnc1)N1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O3/c23-18(16-5-2-1-3-6-16)14-21-9-11-22(12-10-21)19(24)15-25-17-7-4-8-20-13-17/h1-8,13,18,23H,9-12,14-15H2/t18-/m1/s1
InChIKeyAJDRGEUEJUVORB-GOSISDBHSA-N
MW341.41 g/mol
LogP1.34
Rot. Bonds6

About 1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone

1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone (PubChem CID 95321520) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
PubChem CID95321520
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
SMILESO=C(COc1cccnc1)N1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O3/c23-18(16-5-2-1-3-6-16)14-21-9-11-22(12-10-21)19(24)15-25-17-7-4-8-20-13-17/h1-8,13,18,23H,9-12,14-15H2/t18-/m1/s1
InChIKeyAJDRGEUEJUVORB-GOSISDBHSA-N
XLogP1.34
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone with MolForge

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Related Compounds

hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
CID 649806
1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-propoxyethanone
CID 95345396
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 95334934
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95334915
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003
1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 56742518
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95319016
(1R)-1-phenyl-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]ethanol
CID 95322338
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 95311755
2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol
CID 3044988
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95351959

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone (CID 95321520) is 1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone is O=C(COc1cccnc1)N1CCN(C[C@@H](O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone?
The InChIKey is AJDRGEUEJUVORB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18(16-5-2-1-3-6-16)14-21-9-11-22(12-10-21)19(24)15-25-17-7-4-8-20-13-17/h1-8,13,18,23H,9-12,14-15H2/t18-/m1/s1.
What are the key properties of 1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone?
1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 341.41 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-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 95321520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).