2-[(2S)-4-methylpiperazin-2-yl]ethanol

C7H16N2O — CID 51898080

IUPAC2-[(2S)-4-methylpiperazin-2-yl]ethanol
SMILESCN1CCN[C@@H](CCO)C1
InChIInChI=1S/C7H16N2O/c1-9-4-3-8-7(6-9)2-5-10/h7-8,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyOIIMSDKCNRHEQQ-ZETCQYMHSA-N
MW144.22 g/mol
LogP-0.73
Rot. Bonds2

About 2-[(2S)-4-methylpiperazin-2-yl]ethanol

2-[(2S)-4-methylpiperazin-2-yl]ethanol (PubChem CID 51898080) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-[(2S)-4-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-methylpiperazin-2-yl]ethanol
PubChem CID51898080
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-[(2S)-4-methylpiperazin-2-yl]ethanol
SMILESCN1CCN[C@@H](CCO)C1
InChIInChI=1S/C7H16N2O/c1-9-4-3-8-7(6-9)2-5-10/h7-8,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyOIIMSDKCNRHEQQ-ZETCQYMHSA-N
XLogP-0.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-methylpiperazin-2-yl]ethanol (CID 51898080) is 2-[(2S)-4-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-methylpiperazin-2-yl]ethanol is CN1CCN[C@@H](CCO)C1.
What is the InChIKey of 2-[(2S)-4-methylpiperazin-2-yl]ethanol?
The InChIKey is OIIMSDKCNRHEQQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9-4-3-8-7(6-9)2-5-10/h7-8,10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-4-methylpiperazin-2-yl]ethanol?
2-[(2S)-4-methylpiperazin-2-yl]ethanol has a molecular weight of 144.22 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 51898080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).