2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine

C28H54N2O2 — CID 158016503

IUPAC2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine
SMILESC=CC(CC)ON1C(C)(C)CCCC1(C)C.CC/C=C\CON1C(C)(C)CCCC1(C)C
InChIInChI=1S/2C14H27NO/c1-7-12(8-2)16-15-13(3,4)10-9-11-14(15,5)6;1-6-7-8-12-16-15-13(2,3)10-9-11-14(15,4)5/h7,12H,1,8-11H2,2-6H3;7-8H,6,9-12H2,1-5H3/b;8-7-
InChIKeyFFNNKNVALWGQNF-UULNMNGPSA-N
MW450.75 g/mol
LogP7.85
Rot. Bonds8

About 2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine

2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine (PubChem CID 158016503) has the molecular formula C28H54N2O2 and a molecular weight of 450.75 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine
PubChem CID158016503
Molecular FormulaC28H54N2O2
Molecular Weight450.75 g/mol
Exact Mass450.42
IUPAC Name2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine
SMILESC=CC(CC)ON1C(C)(C)CCCC1(C)C.CC/C=C\CON1C(C)(C)CCCC1(C)C
InChIInChI=1S/2C14H27NO/c1-7-12(8-2)16-15-13(3,4)10-9-11-14(15,5)6;1-6-7-8-12-16-15-13(2,3)10-9-11-14(15,4)5/h7,12H,1,8-11H2,2-6H3;7-8H,6,9-12H2,1-5H3/b;8-7-
InChIKeyFFNNKNVALWGQNF-UULNMNGPSA-N
XLogP7.85
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.75
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal
CID 102135644
3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol
CID 91549508
1-[1-(4-ethenylphenyl)ethoxy]-2,2,6,6-tetramethylpiperidine
CID 102123971
1,1-bis(prop-2-enoxy)cyclohexane
CID 10867252
3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 62707645
1,1-bis[(2E,4E)-hepta-2,4-dienoxy]cyclohexane
CID 87726391
4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide
CID 166722696
ethane;N-methyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetamide
CID 170609324
1-methoxy-2,2,6,6-tetramethylpiperidine
CID 5074768
2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol
CID 22094181
2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyoctan-1-amine
CID 62705896
1-prop-2-enoxycyclopentan-1-ol
CID 57483984

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine (CID 158016503) is 2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine is C=CC(CC)ON1C(C)(C)CCCC1(C)C.CC/C=C\CON1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine?
The InChIKey is FFNNKNVALWGQNF-UULNMNGPSA-N. The full InChI is InChI=1S/2C14H27NO/c1-7-12(8-2)16-15-13(3,4)10-9-11-14(15,5)6;1-6-7-8-12-16-15-13(2,3)10-9-11-14(15,4)5/h7,12H,1,8-11H2,2-6H3;7-8H,6,9-12H2,1-5H3/b;8-7-.
What are the key properties of 2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine?
2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine has a molecular weight of 450.75 g/mol, XLogP of 7.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-[(Z)-pent-2-enoxy]piperidine;2,2,6,6-tetramethyl-1-pent-1-en-3-yloxypiperidine is sourced from PubChem (CID 158016503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).