1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine

C30H69N7O4 — CID 159528720

IUPAC1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
SMILESC.CCOCO.CCON1CCN(CCOC)CC1.CN1CCC(N2CCN(C)CC2)CC1.CN1CCN(C)CC1
InChIInChI=1S/C11H23N3.C9H20N2O2.C6H14N2.C3H8O2.CH4/c1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14;1-3-13-11-6-4-10(5-7-11)8-9-12-2;1-7-3-5-8(2)6-4-7;1-2-5-3-4;/h11H,3-10H2,1-2H3;3-9H2,1-2H3;3-6H2,1-2H3;4H,2-3H2,1H3;1H4
InChIKeyMCSHPTUSOAIWOF-UHFFFAOYSA-N
MW591.93 g/mol
LogP1.00
Rot. Bonds8

About 1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine

1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine (PubChem CID 159528720) has the molecular formula C30H69N7O4 and a molecular weight of 591.93 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
PubChem CID159528720
Molecular FormulaC30H69N7O4
Molecular Weight591.93 g/mol
Exact Mass591.54
IUPAC Name1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
SMILESC.CCOCO.CCON1CCN(CCOC)CC1.CN1CCC(N2CCN(C)CC2)CC1.CN1CCN(C)CC1
InChIInChI=1S/C11H23N3.C9H20N2O2.C6H14N2.C3H8O2.CH4/c1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14;1-3-13-11-6-4-10(5-7-11)8-9-12-2;1-7-3-5-8(2)6-4-7;1-2-5-3-4;/h11H,3-10H2,1-2H3;3-9H2,1-2H3;3-6H2,1-2H3;4H,2-3H2,1H3;1H4
InChIKeyMCSHPTUSOAIWOF-UHFFFAOYSA-N
XLogP1.00
TPSA70.60 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.93
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861
ethane;1-(2-methoxyethyl)-4-methylpiperazine;methylcyclopropane
CID 144800701
ethane;4-ethyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine
CID 170586343
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-(3-ethylcyclobutyl)-4-(2-methoxyethyl)piperazine
CID 170953103
[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol
CID 163434092
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine
CID 135180480
2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
CID 58135935
1,4-bis(2-methoxyethoxy)butane;1,3-bis(2-methoxyethoxy)propane;1,4-dimethoxybutane;1,2-dimethoxyethane;1,6-dimethoxyhexane;1,3-dimethoxypropane;1,4-dimethylpiperazine;methoxyethane;1-(2-methoxyethyl)-4-methylpiperazine;1-methoxy-4-(4-methoxybutoxy)butane;1-methoxy-5-(4-methoxybutoxy)pentane;1-methoxy-4-(2-methoxyethoxy)butane;1-methoxy-2-(2-methoxyethoxy)ethane;bis(1-methoxy-4-[2-(2-methoxyethoxy)ethoxy]butane);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;1-methoxy-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethane;1-methoxy-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;1-methoxy-3-[2-(2-methoxyethoxy)ethoxy]propane;1-methoxy-7-(2-methoxyethoxy)heptane;1-methoxy-6-(2-methoxyethoxy)hexane;1-methoxy-3-(2-methoxyethoxy)propane;1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propane;1-methoxy-6-(3-methoxypropoxy)hexane;1-methoxy-5-(3-methoxypropoxy)pentane;1-methoxy-3-(3-methoxypropoxy)propane;1-methoxypropane
CID 162005731
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine
CID 167265160

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of 1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine (CID 159528720) is 1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine is C.CCOCO.CCON1CCN(CCOC)CC1.CN1CCC(N2CCN(C)CC2)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is MCSHPTUSOAIWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3.C9H20N2O2.C6H14N2.C3H8O2.CH4/c1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14;1-3-13-11-6-4-10(5-7-11)8-9-12-2;1-7-3-5-8(2)6-4-7;1-2-5-3-4;/h11H,3-10H2,1-2H3;3-9H2,1-2H3;3-6H2,1-2H3;4H,2-3H2,1H3;1H4.
What are the key properties of 1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 591.93 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;ethoxymethanol;1-ethoxy-4-(2-methoxyethyl)piperazine;methane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 159528720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).