2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol

C51H86N2O — CID 6448108

IUPAC2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CN1CCN(CCO)CC1
InChIInChI=1S/C51H86N2O/c1-43(2)19-11-20-44(3)21-12-22-45(4)23-13-24-46(5)25-14-26-47(6)27-15-28-48(7)29-16-30-49(8)31-17-32-50(9)33-18-34-51(10)35-36-52-37-39-53(40-38-52)41-42-54/h19,21,23,25,27,29,31,33,35,54H,11-18,20,22,24,26,28,30,32,34,36-42H2,1-10H3/b44-21-,45-23-,46-25-,47-27-,48-29-,49-31-,50-33-,51-35-
InChIKeyDTWQHARODGDOAV-NKUNRPDQSA-N
MW743.26 g/mol
LogP14.37
Rot. Bonds28

About 2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol

2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol (PubChem CID 6448108) has the molecular formula C51H86N2O and a molecular weight of 743.26 g/mol. Its IUPAC name is 2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol
PubChem CID6448108
Molecular FormulaC51H86N2O
Molecular Weight743.26 g/mol
Exact Mass742.67
IUPAC Name2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CN1CCN(CCO)CC1
InChIInChI=1S/C51H86N2O/c1-43(2)19-11-20-44(3)21-12-22-45(4)23-13-24-46(5)25-14-26-47(6)27-15-28-48(7)29-16-30-49(8)31-17-32-50(9)33-18-34-51(10)35-36-52-37-39-53(40-38-52)41-42-54/h19,21,23,25,27,29,31,33,35,54H,11-18,20,22,24,26,28,30,32,34,36-42H2,1-10H3/b44-21-,45-23-,46-25-,47-27-,48-29-,49-31-,50-33-,51-35-
InChIKeyDTWQHARODGDOAV-NKUNRPDQSA-N
XLogP14.37
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.26
LogP ≤ 514.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol (CID 6448108) is 2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol is CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol?
The InChIKey is DTWQHARODGDOAV-NKUNRPDQSA-N. The full InChI is InChI=1S/C51H86N2O/c1-43(2)19-11-20-44(3)21-12-22-45(4)23-13-24-46(5)25-14-26-47(6)27-15-28-48(7)29-16-30-49(8)31-17-32-50(9)33-18-34-51(10)35-36-52-37-39-53(40-38-52)41-42-54/h19,21,23,25,27,29,31,33,35,54H,11-18,20,22,24,26,28,30,32,34,36-42H2,1-10H3/b44-21-,45-23-,46-25-,47-27-,48-29-,49-31-,50-33-,51-35-.
What are the key properties of 2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol?
2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol has a molecular weight of 743.26 g/mol, XLogP of 14.37, 28 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 6448108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).