1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone

C7H14N2O2 — CID 145171678

IUPAC1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNC[C@@H]1CO
InChIInChI=1S/C7H14N2O2/c1-6(11)9-3-2-8-4-7(9)5-10/h7-8,10H,2-5H2,1H3/t7-/m1/s1
InChIKeyNWMBSPBBXCTVGU-SSDOTTSWSA-N
MW158.20 g/mol
LogP-1.20
Rot. Bonds1

About 1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone

1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone (PubChem CID 145171678) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
PubChem CID145171678
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNC[C@@H]1CO
InChIInChI=1S/C7H14N2O2/c1-6(11)9-3-2-8-4-7(9)5-10/h7-8,10H,2-5H2,1H3/t7-/m1/s1
InChIKeyNWMBSPBBXCTVGU-SSDOTTSWSA-N
XLogP-1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)piperazine-1-carboxamide
CID 175982295
2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide
CID 177056056
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
(1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate
CID 154966130
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid
CID 144913933
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone
CID 176676947

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone (CID 145171678) is 1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone is CC(=O)N1CCNC[C@@H]1CO.
What is the InChIKey of 1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone?
The InChIKey is NWMBSPBBXCTVGU-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(11)9-3-2-8-4-7(9)5-10/h7-8,10H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone?
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone has a molecular weight of 158.20 g/mol, XLogP of -1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 145171678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).