4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one

C13H18N2O3 — CID 2421334

IUPAC4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one
SMILESO=C1CN(C[C@H](O)COc2ccccc2)CCN1
InChIInChI=1S/C13H18N2O3/c16-11(8-15-7-6-14-13(17)9-15)10-18-12-4-2-1-3-5-12/h1-5,11,16H,6-10H2,(H,14,17)/t11-/m0/s1
InChIKeyVKLRVTPATLUBNA-NSHDSACASA-N
MW250.30 g/mol
LogP-0.14
Rot. Bonds5

About 4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one

4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one (PubChem CID 2421334) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one
PubChem CID2421334
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one
SMILESO=C1CN(C[C@H](O)COc2ccccc2)CCN1
InChIInChI=1S/C13H18N2O3/c16-11(8-15-7-6-14-13(17)9-15)10-18-12-4-2-1-3-5-12/h1-5,11,16H,6-10H2,(H,14,17)/t11-/m0/s1
InChIKeyVKLRVTPATLUBNA-NSHDSACASA-N
XLogP-0.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxy-3-(3-oxopiperazin-1-yl)propoxy]benzonitrile
CID 43213542
4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one
CID 18086489
4-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl]piperazin-2-one
CID 45179310
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one
CID 18081715
ethyl 4-[2-hydroxy-3-(3-oxopiperazin-1-yl)propoxy]benzoate
CID 18125623
4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one
CID 172659890
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one
CID 78782890
4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-2-one
CID 51640549
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one
CID 111436423
1-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,4-diazepan-5-one
CID 110908640

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one?
The IUPAC name of 4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one (CID 2421334) is 4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one.
What is the SMILES notation for 4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one?
The canonical SMILES for 4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one is O=C1CN(C[C@H](O)COc2ccccc2)CCN1.
What is the InChIKey of 4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one?
The InChIKey is VKLRVTPATLUBNA-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O3/c16-11(8-15-7-6-14-13(17)9-15)10-18-12-4-2-1-3-5-12/h1-5,11,16H,6-10H2,(H,14,17)/t11-/m0/s1.
What are the key properties of 4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one?
4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one has a molecular weight of 250.30 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one is sourced from PubChem (CID 2421334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).