1-octadec-9-enylpiperidin-4-ol

C23H45NO — CID 57046419

IUPAC1-octadec-9-enylpiperidin-4-ol
SMILESCCCCCCCCC=CCCCCCCCCN1CCC(O)CC1
InChIInChI=1S/C23H45NO/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/h9-10,23,25H,2-8,11-22H2,1H3
InChIKeyMGRJTWUGUXRWKW-UHFFFAOYSA-N
MW351.62 g/mol
LogP6.48
Rot. Bonds16

About 1-octadec-9-enylpiperidin-4-ol

1-octadec-9-enylpiperidin-4-ol (PubChem CID 57046419) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is 1-octadec-9-enylpiperidin-4-ol.

Molecular Properties

Compound Name1-octadec-9-enylpiperidin-4-ol
PubChem CID57046419
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name1-octadec-9-enylpiperidin-4-ol
SMILESCCCCCCCCC=CCCCCCCCCN1CCC(O)CC1
InChIInChI=1S/C23H45NO/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/h9-10,23,25H,2-8,11-22H2,1H3
InChIKeyMGRJTWUGUXRWKW-UHFFFAOYSA-N
XLogP6.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.48
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-octadec-9-enylpiperidin-4-ol?
The IUPAC name of 1-octadec-9-enylpiperidin-4-ol (CID 57046419) is 1-octadec-9-enylpiperidin-4-ol.
What is the SMILES notation for 1-octadec-9-enylpiperidin-4-ol?
The canonical SMILES for 1-octadec-9-enylpiperidin-4-ol is CCCCCCCCC=CCCCCCCCCN1CCC(O)CC1.
What is the InChIKey of 1-octadec-9-enylpiperidin-4-ol?
The InChIKey is MGRJTWUGUXRWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO/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/h9-10,23,25H,2-8,11-22H2,1H3.
What are the key properties of 1-octadec-9-enylpiperidin-4-ol?
1-octadec-9-enylpiperidin-4-ol has a molecular weight of 351.62 g/mol, XLogP of 6.48, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadec-9-enylpiperidin-4-ol is sourced from PubChem (CID 57046419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).