ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one

C12H24N2O2 — CID 170601597

IUPACethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one
SMILESCC.CN1CCN(CC2(CO)CC2)CC1=O
InChIInChI=1S/C10H18N2O2.C2H6/c1-11-4-5-12(6-9(11)14)7-10(8-13)2-3-10;1-2/h13H,2-8H2,1H3;1-2H3
InChIKeyOZXJVAGJFCDKGA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.56
Rot. Bonds3

About ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one

ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one (PubChem CID 170601597) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Nameethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one
PubChem CID170601597
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one
SMILESCC.CN1CCN(CC2(CO)CC2)CC1=O
InChIInChI=1S/C10H18N2O2.C2H6/c1-11-4-5-12(6-9(11)14)7-10(8-13)2-3-10;1-2/h13H,2-8H2,1H3;1-2H3
InChIKeyOZXJVAGJFCDKGA-UHFFFAOYSA-N
XLogP0.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-(3-Hydroxypropyl)piperazin-1-yl)-2,2-dimethylpropan-1-one
CID 60499068
1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
CID 172588202
N-{[1-(hydroxymethyl)cyclopropyl]methyl}-N-methyl-2-piperazin-1-ylacetamide
CID 56868111
1-(3-Hydroxypropyl)-4-methylpiperazin-2-one
CID 45099587
4-Ethyl-1-(3-hydroxypropyl)piperazin-2-one
CID 60112732
4-(3-Hydroxypropyl)-1-methylpiperazin-2-one
CID 68882761
2-(Dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone
CID 69203602
[1-(Hydroxymethyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 117564295
1-[4-[1-(Hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 117564298
[1-(Hydroxymethyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165732
1-[4-(3-Hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 140912320
4-[[1-(Hydroxymethyl)cyclopropyl]methyl]piperazine-1-carboxylic acid
CID 153663138

Frequently Asked Questions

What is the IUPAC name of ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one?
The IUPAC name of ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one (CID 170601597) is ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one?
The canonical SMILES for ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one is CC.CN1CCN(CC2(CO)CC2)CC1=O.
What is the InChIKey of ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one?
The InChIKey is OZXJVAGJFCDKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.C2H6/c1-11-4-5-12(6-9(11)14)7-10(8-13)2-3-10;1-2/h13H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one?
ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one has a molecular weight of 228.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 170601597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).