(2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one

C17H27NO — CID 44561415

IUPAC(2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one
SMILESCC(C)=CCC/C(C)=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C17H27NO/c1-15(2)9-7-10-16(3)11-8-12-17(19)18-13-5-4-6-14-18/h8-9,11-12H,4-7,10,13-14H2,1-3H3/b12-8+,16-11+
InChIKeyUQQYVCLEAYOHDN-VVROIFTPSA-N
MW261.41 g/mol
LogP4.25
Rot. Bonds5

About (2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one

(2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one (PubChem CID 44561415) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one.

Molecular Properties

Compound Name(2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one
PubChem CID44561415
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one
SMILESCC(C)=CCC/C(C)=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C17H27NO/c1-15(2)9-7-10-16(3)11-8-12-17(19)18-13-5-4-6-14-18/h8-9,11-12H,4-7,10,13-14H2,1-3H3/b12-8+,16-11+
InChIKeyUQQYVCLEAYOHDN-VVROIFTPSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Pipercitine
CID 12575258
(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one
CID 11173777
(2E,4E)-1-(Piperidin-1-yl)tetradeca-2,4-dien-1-one
CID 11130083
1-[(E)-2-Hexadecenoyl]piperidine
CID 53253850
2-Decen-1-one, 1-(1-piperidinyl)-, (2E)-
CID 10966538
Pipereicosalidine
CID 101634668
(2E,4Z-Decadienoyl)piperidine
CID 21634287
Neopellitorine B
CID 11118018
1-[(E)-2-Tetradecenoyl]piperidine
CID 91715829
1-[(E)-2-Eicosenoyl]piperidine
CID 91715953
Piperidine, 1-(1-oxo-2,4-hexadienyl)-
CID 5368937
(2E,4E)-1-(Piperidin-1-yl)octadeca-2,4-dien-1-one
CID 11782985

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one?
The IUPAC name of (2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one (CID 44561415) is (2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one.
What is the SMILES notation for (2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one?
The canonical SMILES for (2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one is CC(C)=CCC/C(C)=C/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one?
The InChIKey is UQQYVCLEAYOHDN-VVROIFTPSA-N. The full InChI is InChI=1S/C17H27NO/c1-15(2)9-7-10-16(3)11-8-12-17(19)18-13-5-4-6-14-18/h8-9,11-12H,4-7,10,13-14H2,1-3H3/b12-8+,16-11+.
What are the key properties of (2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one?
(2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one has a molecular weight of 261.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one is sourced from PubChem (CID 44561415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).