2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine

C15H21BrFNO — CID 21195945

IUPAC2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine
SMILESFc1ccc(Br)cc1COCCCC1CCCCN1
InChIInChI=1S/C15H21BrFNO/c16-13-6-7-15(17)12(10-13)11-19-9-3-5-14-4-1-2-8-18-14/h6-7,10,14,18H,1-5,8-9,11H2
InChIKeyUBLCMGAAKVEMBS-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.03
Rot. Bonds6

About 2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine

2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine (PubChem CID 21195945) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine.

Molecular Properties

Compound Name2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine
PubChem CID21195945
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine
SMILESFc1ccc(Br)cc1COCCCC1CCCCN1
InChIInChI=1S/C15H21BrFNO/c16-13-6-7-15(17)12(10-13)11-19-9-3-5-14-4-1-2-8-18-14/h6-7,10,14,18H,1-5,8-9,11H2
InChIKeyUBLCMGAAKVEMBS-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.03
H-Bond Donors ≤ 51
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 2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine?
The IUPAC name of 2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine (CID 21195945) is 2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine.
What is the SMILES notation for 2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine?
The canonical SMILES for 2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine is Fc1ccc(Br)cc1COCCCC1CCCCN1.
What is the InChIKey of 2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine?
The InChIKey is UBLCMGAAKVEMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c16-13-6-7-15(17)12(10-13)11-19-9-3-5-14-4-1-2-8-18-14/h6-7,10,14,18H,1-5,8-9,11H2.
What are the key properties of 2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine?
2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine has a molecular weight of 330.24 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-bromo-2-fluorophenyl)methoxy]propyl]piperidine is sourced from PubChem (CID 21195945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).