1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine

C14H16F5NO2 — CID 18722964

IUPAC1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine
SMILESCN1CCC(Oc2ccc(OC(F)(F)C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H16F5NO2/c1-20-8-6-11(7-9-20)21-10-2-4-12(5-3-10)22-14(18,19)13(15,16)17/h2-5,11H,6-9H2,1H3
InChIKeyHRGBMJOJVBYTSR-UHFFFAOYSA-N
MW325.28 g/mol
LogP3.69
Rot. Bonds4

About 1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine

1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine (PubChem CID 18722964) has the molecular formula C14H16F5NO2 and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine.

Molecular Properties

Compound Name1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine
PubChem CID18722964
Molecular FormulaC14H16F5NO2
Molecular Weight325.28 g/mol
Exact Mass325.11
IUPAC Name1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine
SMILESCN1CCC(Oc2ccc(OC(F)(F)C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H16F5NO2/c1-20-8-6-11(7-9-20)21-10-2-4-12(5-3-10)22-14(18,19)13(15,16)17/h2-5,11H,6-9H2,1H3
InChIKeyHRGBMJOJVBYTSR-UHFFFAOYSA-N
XLogP3.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine?
The IUPAC name of 1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine (CID 18722964) is 1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine.
What is the SMILES notation for 1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine?
The canonical SMILES for 1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine is CN1CCC(Oc2ccc(OC(F)(F)C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine?
The InChIKey is HRGBMJOJVBYTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5NO2/c1-20-8-6-11(7-9-20)21-10-2-4-12(5-3-10)22-14(18,19)13(15,16)17/h2-5,11H,6-9H2,1H3.
What are the key properties of 1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine?
1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine has a molecular weight of 325.28 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine is sourced from PubChem (CID 18722964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).