1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine

C14H19BrFNO — CID 68697853

IUPAC1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine
SMILESFc1cc(OCCCN2CCCCC2)ccc1Br
InChIInChI=1S/C14H19BrFNO/c15-13-6-5-12(11-14(13)16)18-10-4-9-17-7-2-1-3-8-17/h5-6,11H,1-4,7-10H2
InChIKeyDNTFLZKGECIKOW-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.84
Rot. Bonds5

About 1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine

1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine (PubChem CID 68697853) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine
PubChem CID68697853
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine
SMILESFc1cc(OCCCN2CCCCC2)ccc1Br
InChIInChI=1S/C14H19BrFNO/c15-13-6-5-12(11-14(13)16)18-10-4-9-17-7-2-1-3-8-17/h5-6,11H,1-4,7-10H2
InChIKeyDNTFLZKGECIKOW-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.84
H-Bond Donors ≤ 50
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 1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine?
The IUPAC name of 1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine (CID 68697853) is 1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine is Fc1cc(OCCCN2CCCCC2)ccc1Br.
What is the InChIKey of 1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine?
The InChIKey is DNTFLZKGECIKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c15-13-6-5-12(11-14(13)16)18-10-4-9-17-7-2-1-3-8-17/h5-6,11H,1-4,7-10H2.
What are the key properties of 1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine?
1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine has a molecular weight of 316.21 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine is sourced from PubChem (CID 68697853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).