1-piperidin-4-yloxyoct-7-en-3-one

C13H23NO2 — CID 116572312

IUPAC1-piperidin-4-yloxyoct-7-en-3-one
SMILESC=CCCCC(=O)CCOC1CCNCC1
InChIInChI=1S/C13H23NO2/c1-2-3-4-5-12(15)8-11-16-13-6-9-14-10-7-13/h2,13-14H,1,3-11H2
InChIKeyUBCJGVLJYFEWEW-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.07
Rot. Bonds8

About 1-piperidin-4-yloxyoct-7-en-3-one

1-piperidin-4-yloxyoct-7-en-3-one (PubChem CID 116572312) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-piperidin-4-yloxyoct-7-en-3-one.

Molecular Properties

Compound Name1-piperidin-4-yloxyoct-7-en-3-one
PubChem CID116572312
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-piperidin-4-yloxyoct-7-en-3-one
SMILESC=CCCCC(=O)CCOC1CCNCC1
InChIInChI=1S/C13H23NO2/c1-2-3-4-5-12(15)8-11-16-13-6-9-14-10-7-13/h2,13-14H,1,3-11H2
InChIKeyUBCJGVLJYFEWEW-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-4-yloxyhex-5-en-3-one
CID 116572160
3-piperidin-4-yloxy-N-prop-2-enylpropanamide
CID 63875272
1-piperidin-4-yloxyhept-6-yn-3-one
CID 116572339
N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine
CID 141050441
1-pyrrolidin-3-ylnon-8-en-2-one
CID 107010907
1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one
CID 106736432
4-prop-2-enoxypiperidine
CID 15172751
tricosa-1,22-dien-12-one
CID 86210796
2-methylpropyl 3-piperidin-4-yloxypropanoate
CID 63869912
cyclopentyl 3-piperidin-4-yloxypropanoate
CID 55252240
1-(2-methoxyethoxy)oct-7-en-3-one
CID 102927341
ethane;4-prop-2-enoxypiperidine
CID 171805898

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yloxyoct-7-en-3-one?
The IUPAC name of 1-piperidin-4-yloxyoct-7-en-3-one (CID 116572312) is 1-piperidin-4-yloxyoct-7-en-3-one.
What is the SMILES notation for 1-piperidin-4-yloxyoct-7-en-3-one?
The canonical SMILES for 1-piperidin-4-yloxyoct-7-en-3-one is C=CCCCC(=O)CCOC1CCNCC1.
What is the InChIKey of 1-piperidin-4-yloxyoct-7-en-3-one?
The InChIKey is UBCJGVLJYFEWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-3-4-5-12(15)8-11-16-13-6-9-14-10-7-13/h2,13-14H,1,3-11H2.
What are the key properties of 1-piperidin-4-yloxyoct-7-en-3-one?
1-piperidin-4-yloxyoct-7-en-3-one has a molecular weight of 225.33 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yloxyoct-7-en-3-one is sourced from PubChem (CID 116572312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).