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

C76H171N19O11 — CID 161154726

IUPAC1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol
SMILESC1CCNC1.C1CCNCC1.C1CNCCN1.C1COCCN1.CN1CCC(O)CC1.CN1CCN(CCO)CC1.CN1CCNCC1.OC1CCNCC1.OC1CCNCC1.OCCN1CCCC1.OCCN1CCCCC1.OCCN1CCNCC1.OCCN1CCNCC1.OCCN1CCOCC1
InChIInChI=1S/C7H16N2O.C7H15NO.2C6H14N2O.C6H13NO2.2C6H13NO.C5H12N2.2C5H11NO.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;1-7-4-2-6-3-5-7;2*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;6H,2-5H2,1H3;2*5-7H,1-4H2;6H,1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2
InChIKeyUPDLMMOZZMZXBM-UHFFFAOYSA-N
MW1527.33 g/mol
LogP-4.19
Rot. Bonds12

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

1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol (PubChem CID 161154726) has the molecular formula C76H171N19O11 and a molecular weight of 1527.33 g/mol. Its IUPAC name is 1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol
PubChem CID161154726
Molecular FormulaC76H171N19O11
Molecular Weight1527.33 g/mol
Exact Mass1526.34
IUPAC Name1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol
SMILESC1CCNC1.C1CCNCC1.C1CNCCN1.C1COCCN1.CN1CCC(O)CC1.CN1CCN(CCO)CC1.CN1CCNCC1.OC1CCNCC1.OC1CCNCC1.OCCN1CCCC1.OCCN1CCCCC1.OCCN1CCNCC1.OCCN1CCNCC1.OCCN1CCOCC1
InChIInChI=1S/C7H16N2O.C7H15NO.2C6H14N2O.C6H13NO2.2C6H13NO.C5H12N2.2C5H11NO.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;1-7-4-2-6-3-5-7;2*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;6H,2-5H2,1H3;2*5-7H,1-4H2;6H,1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2
InChIKeyUPDLMMOZZMZXBM-UHFFFAOYSA-N
XLogP-4.19
TPSA349.99 Ų
H-Bond Donors19
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001527.33
LogP ≤ 5-4.19
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1030

Analyze 1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(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 1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol?
The IUPAC name of 1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol (CID 161154726) is 1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol?
The canonical SMILES for 1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol is C1CCNC1.C1CCNCC1.C1CNCCN1.C1COCCN1.CN1CCC(O)CC1.CN1CCN(CCO)CC1.CN1CCNCC1.OC1CCNCC1.OC1CCNCC1.OCCN1CCCC1.OCCN1CCCCC1.OCCN1CCNCC1.OCCN1CCNCC1.OCCN1CCOCC1.
What is the InChIKey of 1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol?
The InChIKey is UPDLMMOZZMZXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C7H15NO.2C6H14N2O.C6H13NO2.2C6H13NO.C5H12N2.2C5H11NO.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;1-7-4-2-6-3-5-7;2*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;6H,2-5H2,1H3;2*5-7H,1-4H2;6H,1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2.
What are the key properties of 1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol?
1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol has a molecular weight of 1527.33 g/mol, XLogP of -4.19, 12 rotatable bonds, 19 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;morpholine;2-morpholin-4-ylethanol;piperazine;bis(2-piperazin-1-ylethanol);piperidine;bis(piperidin-4-ol);2-piperidin-1-ylethanol;pyrrolidine;2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 161154726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).