(Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one

C23H43NO2 — CID 118726074

IUPAC(Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N1CCCCC1
InChIInChI=1S/C23H43NO2/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-14-19-23(26)24-20-15-11-16-21-24/h9,13,22,25H,2-8,10-12,14-21H2,1H3/b13-9-/t22-/m1/s1
InChIKeyUNEAHNQYVSQCCD-HVMDOBLNSA-N
MW365.60 g/mol
LogP6.01
Rot. Bonds15

About (Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one

(Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one (PubChem CID 118726074) has the molecular formula C23H43NO2 and a molecular weight of 365.60 g/mol. Its IUPAC name is (Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one.

Molecular Properties

Compound Name(Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one
PubChem CID118726074
Molecular FormulaC23H43NO2
Molecular Weight365.60 g/mol
Exact Mass365.33
IUPAC Name(Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N1CCCCC1
InChIInChI=1S/C23H43NO2/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-14-19-23(26)24-20-15-11-16-21-24/h9,13,22,25H,2-8,10-12,14-21H2,1H3/b13-9-/t22-/m1/s1
InChIKeyUNEAHNQYVSQCCD-HVMDOBLNSA-N
XLogP6.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.60
LogP ≤ 56.01
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 (Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one?
The IUPAC name of (Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one (CID 118726074) is (Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one.
What is the SMILES notation for (Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one?
The canonical SMILES for (Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one is CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N1CCCCC1.
What is the InChIKey of (Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one?
The InChIKey is UNEAHNQYVSQCCD-HVMDOBLNSA-N. The full InChI is InChI=1S/C23H43NO2/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-14-19-23(26)24-20-15-11-16-21-24/h9,13,22,25H,2-8,10-12,14-21H2,1H3/b13-9-/t22-/m1/s1.
What are the key properties of (Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one?
(Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one has a molecular weight of 365.60 g/mol, XLogP of 6.01, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,12R)-12-hydroxy-1-piperidin-1-yloctadec-9-en-1-one is sourced from PubChem (CID 118726074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).