ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone

C18H40N4O2 — CID 170569135

IUPACethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone
SMILESCC.CC.CC1CN(CCO)CC(C)N1CC(=O)N1CCNCC1
InChIInChI=1S/C14H28N4O2.2C2H6/c1-12-9-16(7-8-19)10-13(2)18(12)11-14(20)17-5-3-15-4-6-17;2*1-2/h12-13,15,19H,3-11H2,1-2H3;2*1-2H3
InChIKeyYYKNMQOHWBMNCE-UHFFFAOYSA-N
MW344.54 g/mol
LogP0.86
Rot. Bonds4

About ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone

ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone (PubChem CID 170569135) has the molecular formula C18H40N4O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Nameethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone
PubChem CID170569135
Molecular FormulaC18H40N4O2
Molecular Weight344.54 g/mol
Exact Mass344.32
IUPAC Nameethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone
SMILESCC.CC.CC1CN(CCO)CC(C)N1CC(=O)N1CCNCC1
InChIInChI=1S/C14H28N4O2.2C2H6/c1-12-9-16(7-8-19)10-13(2)18(12)11-14(20)17-5-3-15-4-6-17;2*1-2/h12-13,15,19H,3-11H2,1-2H3;2*1-2H3
InChIKeyYYKNMQOHWBMNCE-UHFFFAOYSA-N
XLogP0.86
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 170569075
1-(1,4-diazepan-1-yl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63611089
2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone
CID 61226175
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-piperazin-1-ylethanone
CID 81491611
1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone
CID 130727537
[1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone
CID 82509980
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one
CID 120981963
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone
CID 81199974
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane
CID 169000293
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone?
The IUPAC name of ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone (CID 170569135) is ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone is CC.CC.CC1CN(CCO)CC(C)N1CC(=O)N1CCNCC1.
What is the InChIKey of ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone?
The InChIKey is YYKNMQOHWBMNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2.2C2H6/c1-12-9-16(7-8-19)10-13(2)18(12)11-14(20)17-5-3-15-4-6-17;2*1-2/h12-13,15,19H,3-11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone?
ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone has a molecular weight of 344.54 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 170569135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).