1-(4-ethylpiperidin-4-yl)oct-7-en-1-one

C15H27NO — CID 107010857

IUPAC1-(4-ethylpiperidin-4-yl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1(CC)CCNCC1
InChIInChI=1S/C15H27NO/c1-3-5-6-7-8-9-14(17)15(4-2)10-12-16-13-11-15/h3,16H,1,4-13H2,2H3
InChIKeyVOECTHRMNMWPNQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.47
Rot. Bonds8

About 1-(4-ethylpiperidin-4-yl)oct-7-en-1-one

1-(4-ethylpiperidin-4-yl)oct-7-en-1-one (PubChem CID 107010857) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-4-yl)oct-7-en-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperidin-4-yl)oct-7-en-1-one
PubChem CID107010857
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(4-ethylpiperidin-4-yl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1(CC)CCNCC1
InChIInChI=1S/C15H27NO/c1-3-5-6-7-8-9-14(17)15(4-2)10-12-16-13-11-15/h3,16H,1,4-13H2,2H3
InChIKeyVOECTHRMNMWPNQ-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-4-yl)oct-7-en-1-one?
The IUPAC name of 1-(4-ethylpiperidin-4-yl)oct-7-en-1-one (CID 107010857) is 1-(4-ethylpiperidin-4-yl)oct-7-en-1-one.
What is the SMILES notation for 1-(4-ethylpiperidin-4-yl)oct-7-en-1-one?
The canonical SMILES for 1-(4-ethylpiperidin-4-yl)oct-7-en-1-one is C=CCCCCCC(=O)C1(CC)CCNCC1.
What is the InChIKey of 1-(4-ethylpiperidin-4-yl)oct-7-en-1-one?
The InChIKey is VOECTHRMNMWPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-5-6-7-8-9-14(17)15(4-2)10-12-16-13-11-15/h3,16H,1,4-13H2,2H3.
What are the key properties of 1-(4-ethylpiperidin-4-yl)oct-7-en-1-one?
1-(4-ethylpiperidin-4-yl)oct-7-en-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-4-yl)oct-7-en-1-one is sourced from PubChem (CID 107010857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).