1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine

C14H19BrFNO2 — CID 166461289

IUPAC1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine
SMILESCOC(OC)C1CCN(c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H19BrFNO2/c1-18-14(19-2)10-5-7-17(8-6-10)11-3-4-13(16)12(15)9-11/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyAMEXDFOFSCDQMC-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.42
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine

1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine (PubChem CID 166461289) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine
PubChem CID166461289
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC Name1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine
SMILESCOC(OC)C1CCN(c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H19BrFNO2/c1-18-14(19-2)10-5-7-17(8-6-10)11-3-4-13(16)12(15)9-11/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyAMEXDFOFSCDQMC-UHFFFAOYSA-N
XLogP3.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine (CID 166461289) is 1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine is COC(OC)C1CCN(c2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine?
The InChIKey is AMEXDFOFSCDQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-18-14(19-2)10-5-7-17(8-6-10)11-3-4-13(16)12(15)9-11/h3-4,9-10,14H,5-8H2,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine?
1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine has a molecular weight of 332.21 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine is sourced from PubChem (CID 166461289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).