1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol

C18H44N4O2 — CID 142949316

IUPAC1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol
SMILESCC.CCN(C)CCO.CN1CCC(O)C1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C5H11NO.C5H13NO.C2H6/c1-7-3-5-8(2)6-4-7;1-6-3-2-5(7)4-6;1-3-6(2)4-5-7;1-2/h3-6H2,1-2H3;5,7H,2-4H2,1H3;7H,3-5H2,1-2H3;1-2H3
InChIKeyIZQCUPIZTOXNSS-UHFFFAOYSA-N
MW348.58 g/mol
LogP0.50
Rot. Bonds3

About 1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol

1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol (PubChem CID 142949316) has the molecular formula C18H44N4O2 and a molecular weight of 348.58 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol
PubChem CID142949316
Molecular FormulaC18H44N4O2
Molecular Weight348.58 g/mol
Exact Mass348.35
IUPAC Name1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol
SMILESCC.CCN(C)CCO.CN1CCC(O)C1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C5H11NO.C5H13NO.C2H6/c1-7-3-5-8(2)6-4-7;1-6-3-2-5(7)4-6;1-3-6(2)4-5-7;1-2/h3-6H2,1-2H3;5,7H,2-4H2,1H3;7H,3-5H2,1-2H3;1-2H3
InChIKeyIZQCUPIZTOXNSS-UHFFFAOYSA-N
XLogP0.50
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 159296161
2-[ethyl(methyl)amino]ethanol;hydrate
CID 174397905
(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-ol
CID 115277606
ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane
CID 168901872
cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 159294837
ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol
CID 177318564
(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
CID 159420555
1,4-dimethyl-1,4-diazepan-6-ol
CID 14999065
1-methylpiperidin-4-ol;trihydrochloride
CID 142686130
(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892648
1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol
CID 166075862
ethane;2-methylbut-2-ene;N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butan-1-amine
CID 142068127

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol?
The IUPAC name of 1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol (CID 142949316) is 1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol.
What is the SMILES notation for 1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol?
The canonical SMILES for 1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol is CC.CCN(C)CCO.CN1CCC(O)C1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol?
The InChIKey is IZQCUPIZTOXNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C5H11NO.C5H13NO.C2H6/c1-7-3-5-8(2)6-4-7;1-6-3-2-5(7)4-6;1-3-6(2)4-5-7;1-2/h3-6H2,1-2H3;5,7H,2-4H2,1H3;7H,3-5H2,1-2H3;1-2H3.
What are the key properties of 1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol?
1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol has a molecular weight of 348.58 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol is sourced from PubChem (CID 142949316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).