1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol

C38H71NO3 — CID 70807765

IUPAC1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol
SMILESCC/C=C\CCCCCCCCOC(COCCCCCCCC/C=C\C/C=C\CCCCC)CN1CCC(O)CC1
InChIInChI=1S/C38H71NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-33-41-36-38(35-39-31-29-37(40)30-32-39)42-34-28-26-24-22-14-12-10-8-6-4-2/h6,8,11,13,16-17,37-38,40H,3-5,7,9-10,12,14-15,18-36H2,1-2H3/b8-6-,13-11-,17-16-
InChIKeyOYVXWEDDKRCDOV-RZBTVGAGSA-N
MW589.99 g/mol
LogP10.36
Rot. Bonds30

About 1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol

1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol (PubChem CID 70807765) has the molecular formula C38H71NO3 and a molecular weight of 589.99 g/mol. Its IUPAC name is 1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol
PubChem CID70807765
Molecular FormulaC38H71NO3
Molecular Weight589.99 g/mol
Exact Mass589.54
IUPAC Name1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol
SMILESCC/C=C\CCCCCCCCOC(COCCCCCCCC/C=C\C/C=C\CCCCC)CN1CCC(O)CC1
InChIInChI=1S/C38H71NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-33-41-36-38(35-39-31-29-37(40)30-32-39)42-34-28-26-24-22-14-12-10-8-6-4-2/h6,8,11,13,16-17,37-38,40H,3-5,7,9-10,12,14-15,18-36H2,1-2H3/b8-6-,13-11-,17-16-
InChIKeyOYVXWEDDKRCDOV-RZBTVGAGSA-N
XLogP10.36
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.99
LogP ≤ 510.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol?
The IUPAC name of 1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol (CID 70807765) is 1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol is CC/C=C\CCCCCCCCOC(COCCCCCCCC/C=C\C/C=C\CCCCC)CN1CCC(O)CC1.
What is the InChIKey of 1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol?
The InChIKey is OYVXWEDDKRCDOV-RZBTVGAGSA-N. The full InChI is InChI=1S/C38H71NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-33-41-36-38(35-39-31-29-37(40)30-32-39)42-34-28-26-24-22-14-12-10-8-6-4-2/h6,8,11,13,16-17,37-38,40H,3-5,7,9-10,12,14-15,18-36H2,1-2H3/b8-6-,13-11-,17-16-.
What are the key properties of 1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol?
1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol has a molecular weight of 589.99 g/mol, XLogP of 10.36, 30 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(Z)-dodec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]piperidin-4-ol is sourced from PubChem (CID 70807765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).