[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

C17H24N2O3 — CID 2077821

IUPAC[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c20-15(14-5-2-1-3-6-14)13-18-8-10-19(11-9-18)17(21)16-7-4-12-22-16/h1-3,5-6,15-16,20H,4,7-13H2/t15-,16+/m0/s1
InChIKeyHVSVJKJMVMYOJB-JKSUJKDBSA-N
MW304.39 g/mol
LogP1.04
Rot. Bonds4

About [4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 2077821) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID2077821
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c20-15(14-5-2-1-3-6-14)13-18-8-10-19(11-9-18)17(21)16-7-4-12-22-16/h1-3,5-6,15-16,20H,4,7-13H2/t15-,16+/m0/s1
InChIKeyHVSVJKJMVMYOJB-JKSUJKDBSA-N
XLogP1.04
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

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Related Compounds

[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 32513873
2-[2-hydroxy-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 47021559
(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol
CID 94767855
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119880024
(4-benzhydrylpiperazin-4-ium-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 7762308
N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86914120
4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide
CID 86914075
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40642009
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
N'-methyl-N-(3-methyl-2-phenylbutyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111300971
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43251966

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 2077821) is [4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of [4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is HVSVJKJMVMYOJB-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-15(14-5-2-1-3-6-14)13-18-8-10-19(11-9-18)17(21)16-7-4-12-22-16/h1-3,5-6,15-16,20H,4,7-13H2/t15-,16+/m0/s1.
What are the key properties of [4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 2077821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).