1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine

C14H16F3NO2 — CID 142206696

IUPAC1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine
SMILESCN1CCC(OC2=CC=C=C(OC(F)(F)F)C=C2)CC1
InChIInChI=1S/C14H16F3NO2/c1-18-9-7-12(8-10-18)19-11-3-2-4-13(6-5-11)20-14(15,16)17/h2-3,5-6,12H,7-10H2,1H3
InChIKeyLBRFUQXGFKAWBC-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.13
Rot. Bonds3

About 1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine

1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine (PubChem CID 142206696) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine.

Molecular Properties

Compound Name1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine
PubChem CID142206696
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine
SMILESCN1CCC(OC2=CC=C=C(OC(F)(F)F)C=C2)CC1
InChIInChI=1S/C14H16F3NO2/c1-18-9-7-12(8-10-18)19-11-3-2-4-13(6-5-11)20-14(15,16)17/h2-3,5-6,12H,7-10H2,1H3
InChIKeyLBRFUQXGFKAWBC-UHFFFAOYSA-N
XLogP3.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine
CID 139437788
1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
CID 142009799
ethane;1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394648
1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394649
1-Butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502498
4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine
CID 145107631
4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine
CID 142009560
ethane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]oxypiperidine
CID 144191963
4-Cyclohepta-1,4,6-trien-1-yloxy-1-propylpiperidine
CID 145661193
1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine
CID 146604716
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxy-1-methylpiperidine
CID 155465253
4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine
CID 169173047

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine?
The IUPAC name of 1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine (CID 142206696) is 1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine.
What is the SMILES notation for 1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine?
The canonical SMILES for 1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine is CN1CCC(OC2=CC=C=C(OC(F)(F)F)C=C2)CC1.
What is the InChIKey of 1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine?
The InChIKey is LBRFUQXGFKAWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-18-9-7-12(8-10-18)19-11-3-2-4-13(6-5-11)20-14(15,16)17/h2-3,5-6,12H,7-10H2,1H3.
What are the key properties of 1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine?
1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine has a molecular weight of 287.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine is sourced from PubChem (CID 142206696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).