1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol

C23H43NO — CID 142667481

IUPAC1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol
SMILESCCCCC/C=C/C/C=C/CCCCCCCCN1CCC(O)CC1
InChIInChI=1S/C23H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21-18-23(25)19-22-24/h6-7,9-10,23,25H,2-5,8,11-22H2,1H3/b7-6+,10-9+
InChIKeyOTYAOFFXYMEZOY-AVQMFFATSA-N
MW349.60 g/mol
LogP6.26
Rot. Bonds15

About 1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol

1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol (PubChem CID 142667481) has the molecular formula C23H43NO and a molecular weight of 349.60 g/mol. Its IUPAC name is 1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol
PubChem CID142667481
Molecular FormulaC23H43NO
Molecular Weight349.60 g/mol
Exact Mass349.33
IUPAC Name1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol
SMILESCCCCC/C=C/C/C=C/CCCCCCCCN1CCC(O)CC1
InChIInChI=1S/C23H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21-18-23(25)19-22-24/h6-7,9-10,23,25H,2-5,8,11-22H2,1H3/b7-6+,10-9+
InChIKeyOTYAOFFXYMEZOY-AVQMFFATSA-N
XLogP6.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.60
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol?
The IUPAC name of 1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol (CID 142667481) is 1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol.
What is the SMILES notation for 1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol?
The canonical SMILES for 1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol is CCCCC/C=C/C/C=C/CCCCCCCCN1CCC(O)CC1.
What is the InChIKey of 1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol?
The InChIKey is OTYAOFFXYMEZOY-AVQMFFATSA-N. The full InChI is InChI=1S/C23H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21-18-23(25)19-22-24/h6-7,9-10,23,25H,2-5,8,11-22H2,1H3/b7-6+,10-9+.
What are the key properties of 1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol?
1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol has a molecular weight of 349.60 g/mol, XLogP of 6.26, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9E,12E)-octadeca-9,12-dienyl]piperidin-4-ol is sourced from PubChem (CID 142667481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).