1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine

C14H19F2NO2 — CID 129149337

IUPAC1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine
SMILESCOCCOc1cc(F)c(N2CCCCC2)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-18-7-8-19-11-9-12(15)14(13(16)10-11)17-5-3-2-4-6-17/h9-10H,2-8H2,1H3
InChIKeyDCRQCFKSMYUTRC-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.98
Rot. Bonds5

About 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine

1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine (PubChem CID 129149337) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine.

Molecular Properties

Compound Name1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine
PubChem CID129149337
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine
SMILESCOCCOc1cc(F)c(N2CCCCC2)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-18-7-8-19-11-9-12(15)14(13(16)10-11)17-5-3-2-4-6-17/h9-10H,2-8H2,1H3
InChIKeyDCRQCFKSMYUTRC-UHFFFAOYSA-N
XLogP2.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine?
The IUPAC name of 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine (CID 129149337) is 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine.
What is the SMILES notation for 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine?
The canonical SMILES for 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine is COCCOc1cc(F)c(N2CCCCC2)c(F)c1.
What is the InChIKey of 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine?
The InChIKey is DCRQCFKSMYUTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-18-7-8-19-11-9-12(15)14(13(16)10-11)17-5-3-2-4-6-17/h9-10H,2-8H2,1H3.
What are the key properties of 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine?
1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine has a molecular weight of 271.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine is sourced from PubChem (CID 129149337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).