1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile

C19H34FN3O2 — CID 87529611

IUPAC1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile
SMILESCC1(C)CC(F)CC(C)(C)N1OON1C(C)(C)CC(C#N)CC1(C)C
InChIInChI=1S/C19H34FN3O2/c1-16(2)9-14(13-21)10-17(3,4)22(16)24-25-23-18(5,6)11-15(20)12-19(23,7)8/h14-15H,9-12H2,1-8H3
InChIKeyWVWJNTWWHRDOII-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.55
Rot. Bonds3

About 1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile

1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile (PubChem CID 87529611) has the molecular formula C19H34FN3O2 and a molecular weight of 355.50 g/mol. Its IUPAC name is 1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile
PubChem CID87529611
Molecular FormulaC19H34FN3O2
Molecular Weight355.50 g/mol
Exact Mass355.26
IUPAC Name1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile
SMILESCC1(C)CC(F)CC(C)(C)N1OON1C(C)(C)CC(C#N)CC1(C)C
InChIInChI=1S/C19H34FN3O2/c1-16(2)9-14(13-21)10-17(3,4)22(16)24-25-23-18(5,6)11-15(20)12-19(23,7)8/h14-15H,9-12H2,1-8H3
InChIKeyWVWJNTWWHRDOII-UHFFFAOYSA-N
XLogP4.55
TPSA48.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile?
The IUPAC name of 1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile (CID 87529611) is 1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile is CC1(C)CC(F)CC(C)(C)N1OON1C(C)(C)CC(C#N)CC1(C)C.
What is the InChIKey of 1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile?
The InChIKey is WVWJNTWWHRDOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34FN3O2/c1-16(2)9-14(13-21)10-17(3,4)22(16)24-25-23-18(5,6)11-15(20)12-19(23,7)8/h14-15H,9-12H2,1-8H3.
What are the key properties of 1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile?
1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile has a molecular weight of 355.50 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile is sourced from PubChem (CID 87529611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).