ethane;1-(1-methylpiperazin-2-yl)ethanone

C9H20N2O — CID 142036342

IUPACethane;1-(1-methylpiperazin-2-yl)ethanone
SMILESCC.CC(=O)C1CNCCN1C
InChIInChI=1S/C7H14N2O.C2H6/c1-6(10)7-5-8-3-4-9(7)2;1-2/h7-8H,3-5H2,1-2H3;1-2H3
InChIKeyZNPJCVZFRLUDSB-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.51
Rot. Bonds1

About ethane;1-(1-methylpiperazin-2-yl)ethanone

ethane;1-(1-methylpiperazin-2-yl)ethanone (PubChem CID 142036342) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;1-(1-methylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(1-methylpiperazin-2-yl)ethanone
PubChem CID142036342
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;1-(1-methylpiperazin-2-yl)ethanone
SMILESCC.CC(=O)C1CNCCN1C
InChIInChI=1S/C7H14N2O.C2H6/c1-6(10)7-5-8-3-4-9(7)2;1-2/h7-8H,3-5H2,1-2H3;1-2H3
InChIKeyZNPJCVZFRLUDSB-UHFFFAOYSA-N
XLogP0.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357
1-methylpiperazine-2-carboxamide;dihydrochloride
CID 23145861
propan-2-yl 1-methylpiperazine-2-carboxylate
CID 175918084
2-acetylpiperazine-1-carbaldehyde
CID 22614357
1-(1-ethylpiperazin-2-yl)ethanone
CID 173048643
N-methoxy-N,1-dimethylpiperazine-2-carboxamide
CID 58137843
(2R)-N-cyclobutyl-1-methylpiperazine-2-carboxamide
CID 89103840
1-methyl-1,4-diazepane-2-carboxylic acid
CID 23090542
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone
CID 116919723
(4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919681
N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide
CID 115177823
(4-ethylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919674

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methylpiperazin-2-yl)ethanone?
The IUPAC name of ethane;1-(1-methylpiperazin-2-yl)ethanone (CID 142036342) is ethane;1-(1-methylpiperazin-2-yl)ethanone.
What is the SMILES notation for ethane;1-(1-methylpiperazin-2-yl)ethanone?
The canonical SMILES for ethane;1-(1-methylpiperazin-2-yl)ethanone is CC.CC(=O)C1CNCCN1C.
What is the InChIKey of ethane;1-(1-methylpiperazin-2-yl)ethanone?
The InChIKey is ZNPJCVZFRLUDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-6(10)7-5-8-3-4-9(7)2;1-2/h7-8H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(1-methylpiperazin-2-yl)ethanone?
ethane;1-(1-methylpiperazin-2-yl)ethanone has a molecular weight of 172.27 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methylpiperazin-2-yl)ethanone is sourced from PubChem (CID 142036342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).