6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol

C17H29NO2 — CID 85401795

IUPAC6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol
SMILESCCCCC=CC=CC=CC1CCC(O)C(CO)N1C
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-11-15-12-13-17(20)16(14-19)18(15)2/h6-11,15-17,19-20H,3-5,12-14H2,1-2H3
InChIKeyWARMWDVKZKPUTH-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.66
Rot. Bonds7

About 6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol

6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol (PubChem CID 85401795) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol
PubChem CID85401795
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol
SMILESCCCCC=CC=CC=CC1CCC(O)C(CO)N1C
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-11-15-12-13-17(20)16(14-19)18(15)2/h6-11,15-17,19-20H,3-5,12-14H2,1-2H3
InChIKeyWARMWDVKZKPUTH-UHFFFAOYSA-N
XLogP2.66
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
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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Related Compounds

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CID 71576920
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CID 71578971
Microgrewiapine C
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Clavepictine B
CID 10425214
Microcosamine A
CID 25140000
(2R,3R,6R)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-3-methoxy-1,2-dimethylpiperidine
CID 11623265
Cryptophorine
CID 5281684
Micropine
CID 42608372
Corydendramine B
CID 10612465
Corydendramine A
CID 10731132
(2R,3R,6R)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol
CID 101821061
(2R,3R,6R)-6-[(1E,3E,5R,7E)-5-hydroxydeca-1,3,7-trienyl]-1,2-dimethylpiperidin-3-ol
CID 162915606

Frequently Asked Questions

What is the IUPAC name of 6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol?
The IUPAC name of 6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol (CID 85401795) is 6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol.
What is the SMILES notation for 6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol?
The canonical SMILES for 6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol is CCCCC=CC=CC=CC1CCC(O)C(CO)N1C.
What is the InChIKey of 6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol?
The InChIKey is WARMWDVKZKPUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-11-15-12-13-17(20)16(14-19)18(15)2/h6-11,15-17,19-20H,3-5,12-14H2,1-2H3.
What are the key properties of 6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol?
6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol has a molecular weight of 279.42 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol is sourced from PubChem (CID 85401795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).