cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol

C77H172N18O11 — CID 158885594

IUPACcyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol
SMILESC1CCNC1.C1CCNCC1.C1CNCCN1.C1COCCN1.CN1CCC(O)CC1.CN1CCN(CCO)CC1.CN1CCNCC1.OC1CCCCC1.OC1CCNCC1.OCCN1CCCC1.OCCN1CCCCC1.OCCN1CCNCC1.OCCN1CCNCC1.OCCN1CCOCC1
InChIInChI=1S/C7H16N2O.C7H15NO.2C6H14N2O.C6H13NO2.2C6H13NO.C6H12O.C5H12N2.C5H11NO.C5H11N.C4H10N2.C4H9NO.C4H9N/c1-8-2-4-9(5-3-8)6-7-10;9-7-6-8-4-2-1-3-5-8;2*9-6-5-8-3-1-7-2-4-8;8-4-1-7-2-5-9-6-3-7;1-7-4-2-6(8)3-5-7;8-6-5-7-3-1-2-4-7;7-6-4-2-1-3-5-6;1-7-4-2-6-3-5-7;7-5-1-3-6-4-2-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1/h10H,2-7H2,1H3;9H,1-7H2;2*7,9H,1-6H2;8H,1-6H2;6,8H,2-5H2,1H3;8H,1-6H2;6-7H,1-5H2;6H,2-5H2,1H3;5-7H,1-4H2;6H,1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2
InChIKeyJDOYNIKQMYZJAF-UHFFFAOYSA-N
MW1526.34 g/mol
LogP-2.60
Rot. Bonds12

About cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol

cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol (PubChem CID 158885594) has the molecular formula C77H172N18O11 and a molecular weight of 1526.34 g/mol. Its IUPAC name is cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Namecyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol
PubChem CID158885594
Molecular FormulaC77H172N18O11
Molecular Weight1526.34 g/mol
Exact Mass1525.35
IUPAC Namecyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol
SMILESC1CCNC1.C1CCNCC1.C1CNCCN1.C1COCCN1.CN1CCC(O)CC1.CN1CCN(CCO)CC1.CN1CCNCC1.OC1CCCCC1.OC1CCNCC1.OCCN1CCCC1.OCCN1CCCCC1.OCCN1CCNCC1.OCCN1CCNCC1.OCCN1CCOCC1
InChIInChI=1S/C7H16N2O.C7H15NO.2C6H14N2O.C6H13NO2.2C6H13NO.C6H12O.C5H12N2.C5H11NO.C5H11N.C4H10N2.C4H9NO.C4H9N/c1-8-2-4-9(5-3-8)6-7-10;9-7-6-8-4-2-1-3-5-8;2*9-6-5-8-3-1-7-2-4-8;8-4-1-7-2-5-9-6-3-7;1-7-4-2-6(8)3-5-7;8-6-5-7-3-1-2-4-7;7-6-4-2-1-3-5-6;1-7-4-2-6-3-5-7;7-5-1-3-6-4-2-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1/h10H,2-7H2,1H3;9H,1-7H2;2*7,9H,1-6H2;8H,1-6H2;6,8H,2-5H2,1H3;8H,1-6H2;6-7H,1-5H2;6H,2-5H2,1H3;5-7H,1-4H2;6H,1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2
InChIKeyJDOYNIKQMYZJAF-UHFFFAOYSA-N
XLogP-2.60
TPSA337.96 Ų
H-Bond Donors18
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001526.34
LogP ≤ 5-2.60
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1029

Analyze cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol?
The IUPAC name of cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol (CID 158885594) is cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol.
What is the SMILES notation for cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol?
The canonical SMILES for cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol is C1CCNC1.C1CCNCC1.C1CNCCN1.C1COCCN1.CN1CCC(O)CC1.CN1CCN(CCO)CC1.CN1CCNCC1.OC1CCCCC1.OC1CCNCC1.OCCN1CCCC1.OCCN1CCCCC1.OCCN1CCNCC1.OCCN1CCNCC1.OCCN1CCOCC1.
What is the InChIKey of cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol?
The InChIKey is JDOYNIKQMYZJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C7H15NO.2C6H14N2O.C6H13NO2.2C6H13NO.C6H12O.C5H12N2.C5H11NO.C5H11N.C4H10N2.C4H9NO.C4H9N/c1-8-2-4-9(5-3-8)6-7-10;9-7-6-8-4-2-1-3-5-8;2*9-6-5-8-3-1-7-2-4-8;8-4-1-7-2-5-9-6-3-7;1-7-4-2-6(8)3-5-7;8-6-5-7-3-1-2-4-7;7-6-4-2-1-3-5-6;1-7-4-2-6-3-5-7;7-5-1-3-6-4-2-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1/h10H,2-7H2,1H3;9H,1-7H2;2*7,9H,1-6H2;8H,1-6H2;6,8H,2-5H2,1H3;8H,1-6H2;6-7H,1-5H2;6H,2-5H2,1H3;5-7H,1-4H2;6H,1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2.
What are the key properties of cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol?
cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol has a molecular weight of 1526.34 g/mol, XLogP of -2.60, 12 rotatable bonds, 18 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;piperidin-4-ol;2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 158885594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).