ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine

C8H20N2O — CID 142979324

IUPACethane;(2S)-1-hydroxy-2,4-dimethylpiperazine
SMILESCC.C[C@H]1CN(C)CCN1O
InChIInChI=1S/C6H14N2O.C2H6/c1-6-5-7(2)3-4-8(6)9;1-2/h6,9H,3-5H2,1-2H3;1-2H3/t6-;/m0./s1
InChIKeyZBEKTGIMQZWMAA-RGMNGODLSA-N
MW160.26 g/mol
LogP1.04
Rot. Bonds

About ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine

ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine (PubChem CID 142979324) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine.

Molecular Properties

Compound Nameethane;(2S)-1-hydroxy-2,4-dimethylpiperazine
PubChem CID142979324
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Nameethane;(2S)-1-hydroxy-2,4-dimethylpiperazine
SMILESCC.C[C@H]1CN(C)CCN1O
InChIInChI=1S/C6H14N2O.C2H6/c1-6-5-7(2)3-4-8(6)9;1-2/h6,9H,3-5H2,1-2H3;1-2H3/t6-;/m0./s1
InChIKeyZBEKTGIMQZWMAA-RGMNGODLSA-N
XLogP1.04
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(2S)-1,2,4-trimethylpiperazine
CID 90960926
1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine
CID 145359851
(2S,5S)-1,4-dihydroxy-2,5-dimethylpiperazine
CID 175346878
(2R)-4-ethyl-1-hydroxy-2-methylpiperazine
CID 89081113
(2S)-1-iodo-2,4-dimethylpiperazine
CID 139406604
(2R)-1-iodo-2,4-dimethylpiperazine
CID 130224355
ethane;N,2,4-trimethylpiperazine-1-carboxamide
CID 144801941
1,4-dimethylpiperazine;1,2,4,6-tetramethylpiperazine
CID 145359849
ethane;(2R)-1,2,4-trimethyl-1,4-diazepane
CID 142347964
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
1,4-dimethyl-1,4-diazepan-6-ol
CID 14999065
2-(2,4-dimethylpiperazin-1-yl)cyclohexan-1-ol
CID 103857711

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine?
The IUPAC name of ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine (CID 142979324) is ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine.
What is the SMILES notation for ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine?
The canonical SMILES for ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine is CC.C[C@H]1CN(C)CCN1O.
What is the InChIKey of ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine?
The InChIKey is ZBEKTGIMQZWMAA-RGMNGODLSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6/c1-6-5-7(2)3-4-8(6)9;1-2/h6,9H,3-5H2,1-2H3;1-2H3/t6-;/m0./s1.
What are the key properties of ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine?
ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine has a molecular weight of 160.26 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine is sourced from PubChem (CID 142979324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).