(2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol

C16H27NO2 — CID 25140001

IUPAC(2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol
SMILESCCC(O)C/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)N1
InChIInChI=1S/C16H27NO2/c1-3-15(18)10-8-6-4-5-7-9-14-11-12-16(19)13(2)17-14/h4-9,13-19H,3,10-12H2,1-2H3/b5-4+,8-6+,9-7+/t13-,14+,15?,16+/m0/s1
InChIKeyVWERGLWDYNRHSD-HFORSRPOSA-N
MW265.40 g/mol
LogP2.32
Rot. Bonds6

About (2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol

(2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol (PubChem CID 25140001) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol.

Molecular Properties

Compound Name(2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol
PubChem CID25140001
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol
SMILESCCC(O)C/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)N1
InChIInChI=1S/C16H27NO2/c1-3-15(18)10-8-6-4-5-7-9-14-11-12-16(19)13(2)17-14/h4-9,13-19H,3,10-12H2,1-2H3/b5-4+,8-6+,9-7+/t13-,14+,15?,16+/m0/s1
InChIKeyVWERGLWDYNRHSD-HFORSRPOSA-N
XLogP2.32
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol?
The IUPAC name of (2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol (CID 25140001) is (2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol.
What is the SMILES notation for (2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol?
The canonical SMILES for (2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol is CCC(O)C/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)N1.
What is the InChIKey of (2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol?
The InChIKey is VWERGLWDYNRHSD-HFORSRPOSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-15(18)10-8-6-4-5-7-9-14-11-12-16(19)13(2)17-14/h4-9,13-19H,3,10-12H2,1-2H3/b5-4+,8-6+,9-7+/t13-,14+,15?,16+/m0/s1.
What are the key properties of (2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol?
(2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol has a molecular weight of 265.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-6-[(1E,3E,5E)-8-hydroxydeca-1,3,5-trienyl]-2-methylpiperidin-3-ol is sourced from PubChem (CID 25140001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).