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

C14H19BrFNO — CID 21196120

IUPAC3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine
SMILESFc1ccc(Br)cc1COCCC1CCCNC1
InChIInChI=1S/C14H19BrFNO/c15-13-3-4-14(16)12(8-13)10-18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2
InChIKeyHZQULVDFUUFXLD-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.49
Rot. Bonds5

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

3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine (PubChem CID 21196120) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine
PubChem CID21196120
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine
SMILESFc1ccc(Br)cc1COCCC1CCCNC1
InChIInChI=1S/C14H19BrFNO/c15-13-3-4-14(16)12(8-13)10-18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2
InChIKeyHZQULVDFUUFXLD-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.49
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 3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine?
The IUPAC name of 3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine (CID 21196120) is 3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine.
What is the SMILES notation for 3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine?
The canonical SMILES for 3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine is Fc1ccc(Br)cc1COCCC1CCCNC1.
What is the InChIKey of 3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine?
The InChIKey is HZQULVDFUUFXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c15-13-3-4-14(16)12(8-13)10-18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2.
What are the key properties of 3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine?
3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine has a molecular weight of 316.21 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-bromo-2-fluorophenyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 21196120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).