bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)

C35H80N8O4 — CID 161496003

IUPACbis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)
SMILESC.CCCN1CCN(CCO)CC1.CCCN1CCN(CCO)CC1.CCN1CCN(CCO)CC1.CCN1CCN(CCO)CC1
InChIInChI=1S/2C9H20N2O.2C8H18N2O.CH4/c2*1-2-3-10-4-6-11(7-5-10)8-9-12;2*1-2-9-3-5-10(6-4-9)7-8-11;/h2*12H,2-9H2,1H3;2*11H,2-8H2,1H3;1H4
InChIKeyWGFCPKCNALYBFT-UHFFFAOYSA-N
MW677.08 g/mol
LogP-0.12
Rot. Bonds14

About bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)

bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol) (PubChem CID 161496003) has the molecular formula C35H80N8O4 and a molecular weight of 677.08 g/mol. Its IUPAC name is bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol).

Molecular Properties

Compound Namebis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)
PubChem CID161496003
Molecular FormulaC35H80N8O4
Molecular Weight677.08 g/mol
Exact Mass676.63
IUPAC Namebis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)
SMILESC.CCCN1CCN(CCO)CC1.CCCN1CCN(CCO)CC1.CCN1CCN(CCO)CC1.CCN1CCN(CCO)CC1
InChIInChI=1S/2C9H20N2O.2C8H18N2O.CH4/c2*1-2-3-10-4-6-11(7-5-10)8-9-12;2*1-2-9-3-5-10(6-4-9)7-8-11;/h2*12H,2-9H2,1H3;2*11H,2-8H2,1H3;1H4
InChIKeyWGFCPKCNALYBFT-UHFFFAOYSA-N
XLogP-0.12
TPSA106.84 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.08
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

2-(4-ethylpiperazin-1-yl)ethanol;methane
CID 162265705
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol
CID 14611743
propan-1-ol;2-pyrrolidin-1-ylethanol
CID 174908040
cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol
CID 161047191
(4-ethylpiperazin-1-yl)methanol;methane
CID 161108744
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
2-(4-octyl-1,4-diazepan-1-yl)ethanol
CID 63309782
ethane;1-ethyl-4-hexylpiperazine;methane
CID 166111980

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)?
The IUPAC name of bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol) (CID 161496003) is bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol).
What is the SMILES notation for bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)?
The canonical SMILES for bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol) is C.CCCN1CCN(CCO)CC1.CCCN1CCN(CCO)CC1.CCN1CCN(CCO)CC1.CCN1CCN(CCO)CC1.
What is the InChIKey of bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)?
The InChIKey is WGFCPKCNALYBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H20N2O.2C8H18N2O.CH4/c2*1-2-3-10-4-6-11(7-5-10)8-9-12;2*1-2-9-3-5-10(6-4-9)7-8-11;/h2*12H,2-9H2,1H3;2*11H,2-8H2,1H3;1H4.
What are the key properties of bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)?
bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol) has a molecular weight of 677.08 g/mol, XLogP of -0.12, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol) is sourced from PubChem (CID 161496003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).