4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine

C16H28F3NO — CID 167542417

IUPAC4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine
SMILESCC(CCCCN1CCC(OC2CCC2)CC1)C(F)(F)F
InChIInChI=1S/C16H28F3NO/c1-13(16(17,18)19)5-2-3-10-20-11-8-15(9-12-20)21-14-6-4-7-14/h13-15H,2-12H2,1H3
InChIKeyOYPFPFNQSCPCTE-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.39
Rot. Bonds7

About 4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine

4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine (PubChem CID 167542417) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine.

Molecular Properties

Compound Name4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine
PubChem CID167542417
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine
SMILESCC(CCCCN1CCC(OC2CCC2)CC1)C(F)(F)F
InChIInChI=1S/C16H28F3NO/c1-13(16(17,18)19)5-2-3-10-20-11-8-15(9-12-20)21-14-6-4-7-14/h13-15H,2-12H2,1H3
InChIKeyOYPFPFNQSCPCTE-UHFFFAOYSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine?
The IUPAC name of 4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine (CID 167542417) is 4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine.
What is the SMILES notation for 4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine?
The canonical SMILES for 4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine is CC(CCCCN1CCC(OC2CCC2)CC1)C(F)(F)F.
What is the InChIKey of 4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine?
The InChIKey is OYPFPFNQSCPCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-13(16(17,18)19)5-2-3-10-20-11-8-15(9-12-20)21-14-6-4-7-14/h13-15H,2-12H2,1H3.
What are the key properties of 4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine?
4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine has a molecular weight of 307.40 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine is sourced from PubChem (CID 167542417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).