(6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate

C19H31NO2 — CID 78119544

IUPAC(6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate
SMILESCCCCC=CC=CC=CC1CCC(OC(C)=O)C(C)N1C
InChIInChI=1S/C19H31NO2/c1-5-6-7-8-9-10-11-12-13-18-14-15-19(22-17(3)21)16(2)20(18)4/h8-13,16,18-19H,5-7,14-15H2,1-4H3
InChIKeyJMQLJAPSKRBPMT-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.26
Rot. Bonds7

About (6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate

(6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate (PubChem CID 78119544) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate.

Molecular Properties

Compound Name(6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate
PubChem CID78119544
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate
SMILESCCCCC=CC=CC=CC1CCC(OC(C)=O)C(C)N1C
InChIInChI=1S/C19H31NO2/c1-5-6-7-8-9-10-11-12-13-18-14-15-19(22-17(3)21)16(2)20(18)4/h8-13,16,18-19H,5-7,14-15H2,1-4H3
InChIKeyJMQLJAPSKRBPMT-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
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

Microgrewiapine A 3-Acetate
CID 71578973
(2R,3R,6R)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-3-methoxy-1,2-dimethylpiperidine
CID 11623265
(-)-Pictamine
CID 6918623
Clavepictine A
CID 10383079
[(3R,4S,6S,9aS)-4-methyl-6-[(1E,3E)-undeca-1,3-dienyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl] acetate
CID 15460017
[(3R,4S,6S,9aS)-4-methyl-6-[(1E,3Z)-undeca-1,3-dienyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl] acetate
CID 134979430
tert-butyl (2R,3R)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-3-methoxy-2-methylpiperidine-1-carboxylate
CID 134982648
[(3R,4S,6S)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl] acetate
CID 6442775
Acetic acid, 9-methyl-9-aza-bicyclo[3.3.1]non-6-en-2-yl ester
CID 564938
9-Azabicyclo[3.3.1]non-2-ene-9-carboxylic acid, 6-(acetyloxy)-, ethyl ester, endo-
CID 592333
(4-methyl-6-octa-1,3-dienyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl) acetate
CID 78422598
[1-(Cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-yl] acetate
CID 164917803

Frequently Asked Questions

What is the IUPAC name of (6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate?
The IUPAC name of (6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate (CID 78119544) is (6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate.
What is the SMILES notation for (6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate?
The canonical SMILES for (6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate is CCCCC=CC=CC=CC1CCC(OC(C)=O)C(C)N1C.
What is the InChIKey of (6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate?
The InChIKey is JMQLJAPSKRBPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-5-6-7-8-9-10-11-12-13-18-14-15-19(22-17(3)21)16(2)20(18)4/h8-13,16,18-19H,5-7,14-15H2,1-4H3.
What are the key properties of (6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate?
(6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate has a molecular weight of 305.46 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-deca-1,3,5-trienyl-1,2-dimethylpiperidin-3-yl) acetate is sourced from PubChem (CID 78119544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).