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

C17H29NO — CID 12575259

IUPAC(2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one
SMILESCC(C)=CCCC(C)C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C17H29NO/c1-15(2)9-7-10-16(3)11-8-12-17(19)18-13-5-4-6-14-18/h8-9,12,16H,4-7,10-11,13-14H2,1-3H3/b12-8+
InChIKeyPXEVDNRWIIDXTQ-XYOKQWHBSA-N
MW263.43 g/mol
LogP4.33
Rot. Bonds6

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

(2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one (PubChem CID 12575259) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is (2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one.

Molecular Properties

Compound Name(2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one
PubChem CID12575259
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name(2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one
SMILESCC(C)=CCCC(C)C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C17H29NO/c1-15(2)9-7-10-16(3)11-8-12-17(19)18-13-5-4-6-14-18/h8-9,12,16H,4-7,10-11,13-14H2,1-3H3/b12-8+
InChIKeyPXEVDNRWIIDXTQ-XYOKQWHBSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.33
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one?
The IUPAC name of (2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one (CID 12575259) is (2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one.
What is the SMILES notation for (2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one?
The canonical SMILES for (2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one is CC(C)=CCCC(C)C/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one?
The InChIKey is PXEVDNRWIIDXTQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C17H29NO/c1-15(2)9-7-10-16(3)11-8-12-17(19)18-13-5-4-6-14-18/h8-9,12,16H,4-7,10-11,13-14H2,1-3H3/b12-8+.
What are the key properties of (2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one?
(2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one has a molecular weight of 263.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one is sourced from PubChem (CID 12575259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).