(3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol

C23H43NO — CID 142667491

IUPAC(3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol
SMILESC=CC=CCCCCC(CCCCCCCCC)N1CCC[C@H](O)C1
InChIInChI=1S/C23H43NO/c1-3-5-7-9-11-13-15-18-22(17-14-12-10-8-6-4-2)24-20-16-19-23(25)21-24/h4,6,8,22-23,25H,2-3,5,7,9-21H2,1H3/t22?,23-/m0/s1
InChIKeyOFVJQUJRKLHTOU-WCSIJFPASA-N
MW349.60 g/mol
LogP6.26
Rot. Bonds15

About (3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol

(3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol (PubChem CID 142667491) has the molecular formula C23H43NO and a molecular weight of 349.60 g/mol. Its IUPAC name is (3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol
PubChem CID142667491
Molecular FormulaC23H43NO
Molecular Weight349.60 g/mol
Exact Mass349.33
IUPAC Name(3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol
SMILESC=CC=CCCCCC(CCCCCCCCC)N1CCC[C@H](O)C1
InChIInChI=1S/C23H43NO/c1-3-5-7-9-11-13-15-18-22(17-14-12-10-8-6-4-2)24-20-16-19-23(25)21-24/h4,6,8,22-23,25H,2-3,5,7,9-21H2,1H3/t22?,23-/m0/s1
InChIKeyOFVJQUJRKLHTOU-WCSIJFPASA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Microcosamine A
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(2R,3R,6R)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-3-methoxy-1,2-dimethylpiperidine
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(2R,3R,6R)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol
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(2R,3R,6R)-6-[(1E,3E,5R,7E)-5-hydroxydeca-1,3,7-trienyl]-1,2-dimethylpiperidin-3-ol
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1-((E)-1,5,9-Trimethyl-deca-4,8-dienyl)-piperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of (3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol?
The IUPAC name of (3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol (CID 142667491) is (3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol?
The canonical SMILES for (3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol is C=CC=CCCCCC(CCCCCCCCC)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol?
The InChIKey is OFVJQUJRKLHTOU-WCSIJFPASA-N. The full InChI is InChI=1S/C23H43NO/c1-3-5-7-9-11-13-15-18-22(17-14-12-10-8-6-4-2)24-20-16-19-23(25)21-24/h4,6,8,22-23,25H,2-3,5,7,9-21H2,1H3/t22?,23-/m0/s1.
What are the key properties of (3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol?
(3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-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 (3S)-1-octadeca-1,3-dien-9-ylpiperidin-3-ol is sourced from PubChem (CID 142667491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).