(2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol

C16H27NO2 — CID 42608372

IUPAC(2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol
SMILESCCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@@H](CO)N1
InChIInChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-14-11-12-16(19)15(13-18)17-14/h5-10,14-19H,2-4,11-13H2,1H3/b6-5+,8-7+,10-9+/t14-,15-,16-/m1/s1
InChIKeyYVWVILBCUPRAIC-LKFDHHINSA-N
MW265.40 g/mol
LogP2.32
Rot. Bonds7

About (2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol

(2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol (PubChem CID 42608372) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol
PubChem CID42608372
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol
SMILESCCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@@H](CO)N1
InChIInChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-14-11-12-16(19)15(13-18)17-14/h5-10,14-19H,2-4,11-13H2,1H3/b6-5+,8-7+,10-9+/t14-,15-,16-/m1/s1
InChIKeyYVWVILBCUPRAIC-LKFDHHINSA-N
XLogP2.32
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol (CID 42608372) is (2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol is CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@@H](CO)N1.
What is the InChIKey of (2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol?
The InChIKey is YVWVILBCUPRAIC-LKFDHHINSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-14-11-12-16(19)15(13-18)17-14/h5-10,14-19H,2-4,11-13H2,1H3/b6-5+,8-7+,10-9+/t14-,15-,16-/m1/s1.
What are the key properties of (2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol?
(2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol has a molecular weight of 265.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 42608372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).