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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Related Compounds

1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine
CID 138741639
2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine
CID 166734159
1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;2,2,2-trifluoroacetic acid
CID 166758997
2-[4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenoxy]ethanol
CID 138741506
1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
CID 155272560
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one
CID 118648223
1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine
CID 172843480
1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine
CID 129149269
1-(4-chloro-2,6-difluorophenyl)pyrrolidine
CID 168512042
1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine
CID 107078854
2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde
CID 118455142

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).